2-chloro-4-methylpyrimidine-5-carboxylic acid

2-chloro-4-methylpyrimidine-5-carboxylic acid

CAS: 188781-10-4

Formula: C6H5ClN2O2

SMILES: CC1=NC(Cl)=NC=C1C(O)=O

IUPAC: 2-chloro-4-methylpyrimidine-5-carboxylic acid

InChI: InChI=1S/C6H5ClN2O2/c1-3-4(5(10)11)2-8-6(7)9-3/h2H,1H3,(H,10,11)

Composition: C (41.76%), H (2.92%), Cl (20.54%), N (16.23%), O (18.54%)

Molar Mass: 172.57

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	172.0039551
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DSEHPQBQVDLHSK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.07
Topological Polar Surface Area	63.08
Polarizability	14.8
Ring Count	1
Rotatable Bond Count	1

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