4-Methylpyridine-2-carboxylic acid - CAS 4021-08-3

Catalog:	BB024370
Product Name:	4-Methylpyridine-2-carboxylic acid
CAS:	4021-08-3
Synonyms:	4-methylpyridine-2-carboxylic acid

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Computed Properties

IUPAC Name:	4-methylpyridine-2-carboxylic acid
Description:	4-Methylpyridine-2-carboxylic acid (CAS# 4021-08-3) is a used in biological studies for the mutasynthesis of potential neuroprotectant derivatives of the bipyridyl collismycin A.
Molecular Weight:	137.14
Molecular Formula:	C7H7NO2
Canonical SMILES:	CC1=CC(=NC=C1)C(=O)O
InChI:	InChI=1S/C7H7NO2/c1-5-2-3-8-6(4-5)7(9)10/h2-4H,1H3,(H,9,10)
InChI Key:	CMMURVLHXMNTHY-UHFFFAOYSA-N
Boiling Point:	307.4 °C at 760 mmHg
Density:	1.23 g/cm³
Appearance:	White to brown powder
MDL:	MFCD03731175
LogP:	1.08820

Publication Number	Title	Priority Date
JP-2021114435-A	Non-aqueous electrolyte additive, non-aqueous electrolyte and non-aqueous electrolyte secondary battery containing it	20200121
WO-2021113263-A1	Crf receptor antagonists and methods of use	20191204
WO-2020167663-A1	Anti-fibrotic neu3 inhibitor compounds and methods of use	20190212
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

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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264+P265, P280, P305+P351+P338, and P337+P317
Signal Word:	Warning

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	137.047678466
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	137.047678466
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1