2-(pyridin-4-ylformamido)acetic acid - CAS 2015-20-5

Catalog:	BB057926
Product Name:	2-(pyridin-4-ylformamido)acetic acid
CAS:	2015-20-5
Synonyms:	Isonicotinylglycine; Isonicotinuric acid; (isonicotinoylamino)acetic acid; 2-(ISONICOTINOYLAMINO)ACETIC ACID; 2-(pyridine-4-carbonylamino)acetic acid; 2-(Isonicotinamido)acetic acid; 2-(pyridin-4-ylformamido)acetic acid

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Computed Properties

IUPAC Name:	2-(pyridine-4-carbonylamino)acetic acid
Description:	2-(pyridin-4-ylformamido)acetic acid (cas# 2015-20-5) is a useful research chemical.
Molecular Weight:	180.16
Molecular Formula:	C8H8N2O3
Canonical SMILES:	C1=CN=CC=C1C(=O)NCC(=O)O
InChI:	InChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-1-3-9-4-2-6/h1-4H,5H2,(H,10,13)(H,11,12)
InChI Key:	HKCLSDCBERVTCT-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2021086426-A1	D-amphetamine compounds, compositions, and processes for making and using the same	20181029
CA-3047665-A1	Metabolic profiling with magnetic resonance mass spectrometry (mrms)	20180621
US-2019391092-A1	Metabolic profiling with magnetic resonance mass spectrometry (mrms)	20180621
CN-107827815-A	Fluoroquinolones aminoderivative and its purposes for preventing and treating citrus disease	20171110
CN-107827815-B	Fluoroquinolone amino derivatives and application thereof in preventing and treating citrus diseases	20171110
US-2017100462-A1	Genomic instability markers in fanconi anemia	20140522
WO-2015179779-A1	Genomic instability markers in fanconi anemia	20140522
US-10857211-B2	Genomic instability markers in Fanconi anemia	20140522
JP-2012098558-A	Liquid crystal aligning agent, polymer, polymer production method, liquid crystal alignment film, and liquid crystal display element	20101102
JP-5699543-B2	Liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display element	20101102

PMID	Publication Date	Title	Journal
17078709	20061109	Azabicyclic amino acids by stereoselective dearomatizing cyclization of the enolates of N-nicotinoyl glycine derivatives	Organic letters
16303269	20060113	Monitoring the ingestion of anti-tuberculosis drugs by simple non-invasive methods	International journal of pharmaceutics

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.05349212
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	180.05349212
Rotatable Bond Count:	3
Topological Polar Surface Area:	79.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8