Quinoline-5-carboxylic Acid - CAS 7250-53-5

Catalog:	BB034632
Product Name:	Quinoline-5-carboxylic Acid
CAS:	7250-53-5
Synonyms:	5-quinolinecarboxylic acid; quinoline-5-carboxylic acid

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Computed Properties

IUPAC Name:	quinoline-5-carboxylic acid
Description:	Quinoline-5-carboxylic Acid (CAS# 7250-53-5) is a useful research chemical.
Molecular Weight:	173.17
Molecular Formula:	C10H7NO2
Canonical SMILES:	C1=CC(=C2C=CC=NC2=C1)C(=O)O
InChI:	InChI=1S/C10H7NO2/c12-10(13)8-3-1-5-9-7(8)4-2-6-11-9/h1-6H,(H,12,13)
InChI Key:	RAYMXZBXQCGRGX-UHFFFAOYSA-N
Boiling Point:	386.5 °C at 760 mmHg
Density:	1.339 g/cm³
Appearance:	Solid
MDL:	MFCD00047608
LogP:	1.93300

Publication Number	Title	Priority Date
CN-111995575-A	Preparation method of quinoline amide compound	20200911
CN-111659436-A	Electronegative heteroatom-transition metal co-doped carbon-based non-noble metal electrocatalyst and preparation method thereof	20200519
CN-111499644-A	Imidazo [1,5-a ] quinazoline-5 (4H) -ketone derivative and preparation method and application thereof	20200424
CN-111499644-B	Imidazo [1,5-a ] quinazoline-5 (4H) -ketone derivative and preparation method and application thereof	20200424
WO-2021154665-A1	1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS	20200127

PMID	Publication Date	Title	Journal
15902470	20050401	Replacement of active-site residues of quinoline 2-oxidoreductase involved in substrate recognition and specificity	Current microbiology

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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:	2.2