4-Methyl-6-(trifluoromethyl)pyrimidine-2-carboxylic acid

HCID 124706830

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Basic information

CAS: 1379313-04-8
Standard SMILES: Cc1cc(C(F)(F)F)nc(C(=O)O)n1
InChIKey: ZCEQRFYPMKZYHU-UHFFFAOYSA-N
Molecular formula: C7H5F3N2O2
Average molar mass: 206.12 g/mol
Monoisotopic mass: 206.03031189

Names & identifiers

Preferred name: 4-Methyl-6-(trifluoromethyl)pyrimidine-2-carboxylic acid
IUPAC: 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylic acid

Names & synonyms

4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylic acid1379313-04-8DTXSID101191720EFC31304EN300-3451824-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylicacid2-Pyrimidinecarboxylic acid, 4-methyl-6-(trifluoromethyl)-

Database identifiers

CAS: 1379313-04-8
PubChem CID: 124706830
DTXSID: DTXSID101191720

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 63.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 231

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