1,5-Naphthyridine-3-carboxylic acid - CAS 90418-64-7

Catalog:	BB039850
Product Name:	1,5-Naphthyridine-3-carboxylic acid
CAS:	90418-64-7
Synonyms:	1,5-naphthyridine-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	1,5-naphthyridine-3-carboxylic acid
Description:	1,5-Naphthyridine-3-carboxylic acid (CAS# 90418-64-7) is a useful research chemical.
Molecular Weight:	174.16
Molecular Formula:	C9H6N2O2
Canonical SMILES:	C1=CC2=C(C=C(C=N2)C(=O)O)N=C1
InChI:	InChI=1S/C9H6N2O2/c12-9(13)6-4-8-7(11-5-6)2-1-3-10-8/h1-5H,(H,12,13)
InChI Key:	BWIFRKKQXKCKQQ-UHFFFAOYSA-N
MDL:	MFCD13179643
LogP:	1.32800

Publication Number	Title	Priority Date
WO-2021074072-A1	Process for the preparation of (2-cyanoethyl (4s)-4-(4-cyano-2-methoxy-phenyl)-5-hydroxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridin-3-carboxylate by racemate separation by means of diastereomeric tartaric acid esters	20191017
WO-2021074078-A1	Process for the preparation of 2-cyanoethyl (4s)-4-(4-cyano-2-methoxy-phenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate by resolution of racemates by means of diastereomeric tartaric acid esters	20191017
WO-2021032687-A1	Antimalarial hexahydropyrimidine analogues	20190819
WO-2020231739-A2	Compounds and methods for treating cancer	20190510
WO-2020150366-A1	Substituted polycyclic carboxylic acids, analogues thereof, and methods using same	20190117

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Related Functional Groups

Naphthyridines

[40499-89-6]
2,7-naphthyridine-4-carboxylic acid
[1142927-36-3]
1,5-Naphthyridine-2-carbonitrile
[959617-49-3]
1,5-Naphthyridine-3-carbaldehyde
[1142927-37-4]
1,5-Naphthyridine-3-carbonitrile
[1187830-51-8]
5,6,7,8-Tetrahydro-1,6-naphthyridine hydrochloride
[1246088-66-3]
3-Allyl-1,5-naphthyridine

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.042927438
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	174.042927438
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7