Isoquinoline-5-carboxylic acid - CAS 27810-64-6

Catalog:	BB019675
Product Name:	Isoquinoline-5-carboxylic acid
CAS:	27810-64-6
Synonyms:	isoquinoline-5-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	isoquinoline-5-carboxylic acid
Description:	Isoquinoline-5-carboxylic acid (CAS# 27810-64-6) is a useful research chemical.
Molecular Weight:	173.17
Molecular Formula:	C10H7NO2
Canonical SMILES:	C1=CC2=C(C=CN=C2)C(=C1)C(=O)O
InChI:	InChI=1S/C10H7NO2/c12-10(13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,(H,12,13)
InChI Key:	ZIPLFLRGHZAXSJ-UHFFFAOYSA-N
Boiling Point:	60-62 °C / 11 mmHg
Density:	1.339 g/cm³
MDL:	MFCD03788744
LogP:	1.93300

Publication Number	Title	Priority Date
CN-111995575-A	Preparation method of quinoline amide compound	20200911
CN-111377934-A	Heterocyclic compound, preparation and application thereof	20181229
WO-2020079205-A1	New amino-pyrimidonyl-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them	20181019
TW-202028188-A	New amino-pyrimidonyl-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them	20181019
CN-113038990-A	Novel amino-pyrimidinone-piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them	20181019

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Quinoline/Isoquinoline

[203506-30-3]
2-Amino-6-methoxy-3-methylquinoline
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[19490-87-0]
7-Methoxy-2-methylquinoline
[4038-97-5]
7-Methoxy-4-(piperazin-1-yl)quinoline
[7651-83-4]
7-Isoquinolinol
[1394843-51-6]
3-Hydroxy-1-methyl-6-nitroquinolin-2(1H)-one

GHS Hazard Statement:	H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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:	1.6