4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid

C11H6F2N2O2 — CID 116899750

IUPAC4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nccc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C11H6F2N2O2/c12-6-1-2-7(8(13)5-6)9-3-4-14-10(15-9)11(16)17/h1-5H,(H,16,17)
InChIKeyWNVKNGPWBFGHMW-UHFFFAOYSA-N
MW236.18 g/mol
LogP2.12
Rot. Bonds2

About 4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid

4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid (PubChem CID 116899750) has the molecular formula C11H6F2N2O2 and a molecular weight of 236.18 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid
PubChem CID116899750
Molecular FormulaC11H6F2N2O2
Molecular Weight236.18 g/mol
Exact Mass236.04
IUPAC Name4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nccc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C11H6F2N2O2/c12-6-1-2-7(8(13)5-6)9-3-4-14-10(15-9)11(16)17/h1-5H,(H,16,17)
InChIKeyWNVKNGPWBFGHMW-UHFFFAOYSA-N
XLogP2.12
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Chloro-4-methylphenyl)pyrimidine-2-carboxylic acid
CID 134147961
5-Phenylpyrimidine-2-carboxylic acid
CID 608255
4-(3-Fluorophenyl)pyrimidine-2-carboxylic acid
CID 82661260
4-(3-Chloro-4-fluorophenyl)pyrimidine-2-carboxylic acid
CID 116899761
4-(3,4-Difluorophenyl)pyrimidine-2-carboxylic acid
CID 117523700
4-(4-Chloro-3-fluorophenyl)pyrimidine-2-carboxylic acid
CID 134136793
4-(3-Fluoro-4-methylphenyl)pyrimidine-2-carboxylic acid
CID 134137782
4-(3-Chloro-2-fluorophenyl)pyrimidine-2-carboxylic acid
CID 134138586
4-[3-(Carboxymethyl-amino)-propyl]-6-(3-trifluoromethylphenyl)-pyrimidine-2-carbonitrile
CID 52947078
4-(3-Chlorophenyl)pyrimidine-2-carboxylic acid
CID 82663512
4-(4-Chlorophenyl)pyrimidine-2-carboxylic acid
CID 130136116
4-(4-Chloro-2-fluorophenyl)pyrimidine-2-carboxylic acid
CID 134146801

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid?
The IUPAC name of 4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid (CID 116899750) is 4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid is O=C(O)c1nccc(-c2ccc(F)cc2F)n1.
What is the InChIKey of 4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid?
The InChIKey is WNVKNGPWBFGHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N2O2/c12-6-1-2-7(8(13)5-6)9-3-4-14-10(15-9)11(16)17/h1-5H,(H,16,17).
What are the key properties of 4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid?
4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid has a molecular weight of 236.18 g/mol, XLogP of 2.12, 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)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 116899750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).