4-Pyrimidinecarboxylic acid - CAS 31462-59-6

Catalog:	BB020929
Product Name:	4-Pyrimidinecarboxylic acid
CAS:	31462-59-6
Synonyms:	pyrimidine-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	pyrimidine-4-carboxylic acid
Description:	4-Pyrimidinecarboxylic acid (CAS# 31462-59-6) is a reactant in copper-catalyzed heteroaryl carboxamide-directed ortho-amination of anilines with cyclic alkylamines.
Molecular Weight:	124.10
Molecular Formula:	C5H4N2O2
Canonical SMILES:	C1=CN=CN=C1C(=O)O
InChI:	InChI=1S/C5H4N2O2/c8-5(9)4-1-2-6-3-7-4/h1-3H,(H,8,9)
InChI Key:	YPOXGDJGKBXRFP-UHFFFAOYSA-N
Boiling Point:	318.7 °C at 760 mmHg
Purity:	97.0 %
Density:	1.403 g/cm³
MDL:	MFCD00129737
LogP:	0.17480

Publication Number	Title	Priority Date
CN-112979672-A	11, 20-dicarbonyl oridonin 14-O esterified series derivatives and application thereof	20210305
CN-112876482-A	Polysubstituted heterocyclic derivative, preparation method and medical application thereof	20201231
AU-2021103391-A4	A Skincare Cream	20200619
CN-111303162-A	Preparation method of 2-chloro-7-cyclopentyl-7H-pyrrolo [2,3-d ] pyrimidine-6-carboxylic acid	20200416
CN-111303162-B	Preparation method of 2-chloro-7-cyclopentyl-7H-pyrrolo [2,3-d ] pyrimidine-6-carboxylic acid	20200416

PMID	Publication Date	Title	Journal
22090962	20110801	Methyl (2Z)-2-(2-fluoro-4-meth-oxy-benzyl-idene)-5-(4-meth-oxy-phen-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	124.027277375
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	124.027277375
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0