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5-Chloro-2-methylpyrimidine-4-carboxylic Acid

5-Chloro-2-methylpyrimidine-4-carboxylic Acid - CAS 74840-47-4

Catalog:	BB035171
Product Name:	5-Chloro-2-methylpyrimidine-4-carboxylic Acid
CAS:	74840-47-4
Synonyms:	5-chloro-2-methyl-4-pyrimidinecarboxylic acid; 5-chloro-2-methylpyrimidine-4-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-chloro-2-methylpyrimidine-4-carboxylic acid
Description:	5-Chloro-2-methylpyrimidine-4-carboxylic Acid (CAS# 74840-47-4) is a useful research chemical.
Molecular Weight:	172.57
Molecular Formula:	C6H5ClN2O2
Canonical SMILES:	CC1=NC=C(C(=N1)C(=O)O)Cl
InChI:	InChI=1S/C6H5ClN2O2/c1-3-8-2-4(7)5(9-3)6(10)11/h2H,1H3,(H,10,11)
InChI Key:	WKVFRUIYIXKKFO-UHFFFAOYSA-N
Boiling Point:	315.3 °C at 760 mmHg
Density:	1.479 g/cm³
LogP:	1.13660

Publication Number	Title	Priority Date
TW-201738203-A	Tertiary guanamine and method of use	20160406
US-2019119200-A1	Tertiary amides and method of use	20160406
WO-2017177004-A1	Tertiary amides and method of use	20160406
AU-2015330141-B2	Spirodiamine derivatives as aldosterone synthase inhibitors	20141008
EP-3204383-A1	Spirodiamine derivatives as aldosterone synthase inhibitors	20141008

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

GHS Hazard Statement:	H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
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:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.0039551
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.0039551
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1