2-(3,4-difluorophenyl)-6-methylpyrimidine-4-carboxylic acid

C12H8F2N2O2 — CID 62746248

IUPAC2-(3,4-difluorophenyl)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H8F2N2O2/c1-6-4-10(12(17)18)16-11(15-6)7-2-3-8(13)9(14)5-7/h2-5H,1H3,(H,17,18)
InChIKeyKNIHAVJIXKDHCD-UHFFFAOYSA-N
MW250.20 g/mol
LogP2.43
Rot. Bonds2

About 2-(3,4-difluorophenyl)-6-methylpyrimidine-4-carboxylic acid

2-(3,4-difluorophenyl)-6-methylpyrimidine-4-carboxylic acid (PubChem CID 62746248) has the molecular formula C12H8F2N2O2 and a molecular weight of 250.20 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-6-methylpyrimidine-4-carboxylic acid
PubChem CID62746248
Molecular FormulaC12H8F2N2O2
Molecular Weight250.20 g/mol
Exact Mass250.06
IUPAC Name2-(3,4-difluorophenyl)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H8F2N2O2/c1-6-4-10(12(17)18)16-11(15-6)7-2-3-8(13)9(14)5-7/h2-5H,1H3,(H,17,18)
InChIKeyKNIHAVJIXKDHCD-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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Related Compounds

2-(3-bromo-4-fluorophenyl)-6-methylpyrimidine-4-carboxylic acid
CID 82802424
2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid
CID 62745549
2-(3,4-dihydroxyphenyl)-6-methylpyrimidine-4-carboxylic acid
CID 136889419
6-methyl-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 62746595
2-[3-[(1R)-1-methoxyethyl]phenyl]-6-methylpyrimidine-4-carboxylic acid
CID 125435471
2-[3-(1-methoxyethyl)phenyl]-6-methylpyrimidine-4-carboxylic acid
CID 122556535
1-[4-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 154857430
4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid
CID 163216957
6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69038091
5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 71292511
6-methyl-2-(4-methyl-2-pyridinyl)pyrimidine-4-carboxylic acid
CID 63839625
6-methyl-2-(3-methylfuran-2-yl)pyrimidine-4-carboxylic acid
CID 104807222

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-(3,4-difluorophenyl)-6-methylpyrimidine-4-carboxylic acid (CID 62746248) is 2-(3,4-difluorophenyl)-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(3,4-difluorophenyl)-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(3,4-difluorophenyl)-6-methylpyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(-c2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-(3,4-difluorophenyl)-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is KNIHAVJIXKDHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O2/c1-6-4-10(12(17)18)16-11(15-6)7-2-3-8(13)9(14)5-7/h2-5H,1H3,(H,17,18).
What are the key properties of 2-(3,4-difluorophenyl)-6-methylpyrimidine-4-carboxylic acid?
2-(3,4-difluorophenyl)-6-methylpyrimidine-4-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 2-(3,4-difluorophenyl)-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 62746248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).