3-Isoquinolinecarboxylic Acid - CAS 6624-49-3

Name: 3-Isoquinolinecarboxylic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032945
Product Name:	3-Isoquinolinecarboxylic Acid
CAS:	6624-49-3
Synonyms:	3-isoquinolinecarboxylic acid; isoquinoline-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	isoquinoline-3-carboxylic acid
Description:	3-Isoquinolinecarboxylic Acid (CAS# 6624-49-3) is a reagent used in the synthesis of an anti-Trypanosoma agent, which acts as a minor groove binder affecting the biological activity.
Molecular Weight:	173.17
Molecular Formula:	C10H7NO2
Canonical SMILES:	C1=CC=C2C=NC(=CC2=C1)C(=O)O
InChI:	InChI=1S/C10H7NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H,12,13)
InChI Key:	KVMMIDQDXZOPAB-UHFFFAOYSA-N
Boiling Point:	366.4 °C at 760 mmHg
Density:	1.339 g/cm³
Appearance:	Solid
MDL:	MFCD00075137
LogP:	1.93300

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Quinoline/Isoquinoline

[1936054-65-7]C11H9Cl2N
2,4-Dichloro-3,6-dimethylquinoline
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[30740-95-5]C12H16ClNO4
6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydrochloride
[938001-63-9]C11H12ClN3
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline
[1535306-28-5]C9H5FINO
6-Fluoro-8-iodoquinolin-2(1H)-one
[4965-34-8]C10H8BrN
7-Bromo-2-methylquinoline

GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021086879-A1	Compounds and methods of use	20191028
WO-2021081515-A2	Compositions and methods for the treatment of human immunodeficiency virus	20191025
WO-2021050612-A1	Compositions and methods for the treatment of respiratory syncytial virus	20190909
WO-2021046549-A1	Compositions and methods for the treatment of viral infections	20190906
WO-2021035177-A2	Variant fc domains and uses thereof	20190822

PMID	Publication Date	Title	Journal
21414693	20110501	A class of novel N-isoquinoline-3-carbonyl-L-amino acid benzylesters: synthesis, anti-tumor evaluation and 3D QSAR analysis	European journal of medicinal chemistry
19734057	20091101	Unusual mass spectrometric dissociation pathway of protonated isoquinoline-3-carboxamides due to multiple reversible water adduct formation in the gas phase	Journal of the American Society for Mass Spectrometry
15237156	20040701	Cobalt(II), nickel(II) and copper(II) complexes of isoquinoline-3-carboxylate	Acta crystallographica. Section C, Crystal structure communications

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.047678466
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.047678466
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2