4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid

C12H8F2N2O2 — CID 82297355

IUPAC4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid
SMILESCc1ncnc(-c2ccc(F)cc2F)c1C(=O)O
InChIInChI=1S/C12H8F2N2O2/c1-6-10(12(17)18)11(16-5-15-6)8-3-2-7(13)4-9(8)14/h2-5H,1H3,(H,17,18)
InChIKeyCCFWAOOVJONFLW-UHFFFAOYSA-N
MW250.20 g/mol
LogP2.43
Rot. Bonds2

About 4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid

4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid (PubChem CID 82297355) has the molecular formula C12H8F2N2O2 and a molecular weight of 250.20 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid
PubChem CID82297355
Molecular FormulaC12H8F2N2O2
Molecular Weight250.20 g/mol
Exact Mass250.06
IUPAC Name4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid
SMILESCc1ncnc(-c2ccc(F)cc2F)c1C(=O)O
InChIInChI=1S/C12H8F2N2O2/c1-6-10(12(17)18)11(16-5-15-6)8-3-2-7(13)4-9(8)14/h2-5H,1H3,(H,17,18)
InChIKeyCCFWAOOVJONFLW-UHFFFAOYSA-N
XLogP2.43
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid (CID 82297355) is 4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid is Cc1ncnc(-c2ccc(F)cc2F)c1C(=O)O.
What is the InChIKey of 4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid?
The InChIKey is CCFWAOOVJONFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O2/c1-6-10(12(17)18)11(16-5-15-6)8-3-2-7(13)4-9(8)14/h2-5H,1H3,(H,17,18).
What are the key properties of 4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid?
4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid has a molecular weight of 250.20 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 82297355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).