6-chloro-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid

C11H6ClFN2O2 — CID 57431700

IUPAC6-chloro-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H6ClFN2O2/c12-9-5-8(11(16)17)14-10(15-9)6-1-3-7(13)4-2-6/h1-5H,(H,16,17)
InChIKeyIIECHIRTCURITI-UHFFFAOYSA-N
MW252.63 g/mol
LogP2.63
Rot. Bonds2

About 6-chloro-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid

6-chloro-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid (PubChem CID 57431700) has the molecular formula C11H6ClFN2O2 and a molecular weight of 252.63 g/mol. Its IUPAC name is 6-chloro-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid
PubChem CID57431700
Molecular FormulaC11H6ClFN2O2
Molecular Weight252.63 g/mol
Exact Mass252.01
IUPAC Name6-chloro-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H6ClFN2O2/c12-9-5-8(11(16)17)14-10(15-9)6-1-3-7(13)4-2-6/h1-5H,(H,16,17)
InChIKeyIIECHIRTCURITI-UHFFFAOYSA-N
XLogP2.63
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.63
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-Chlorophenyl)pyrimidine-4-carboxylic acid
CID 44632919
6-(3-Chloro-2-fluorophenyl)-4-pyrimidinecarboxylic acid
CID 44633650
6-(3,4-Difluorophenyl)pyrimidine-4-carboxylic acid
CID 67218051
6-(3-Chloro-4-fluorophenyl)-4-pyrimidinecarboxylic acid
CID 67218064
6-(3-Fluorophenyl)pyrimidine-4-carboxylic acid
CID 67218312
6-(4-Chloro-3-fluorophenyl)pyrimidine-4-carboxylic acid
CID 71282673
6-(3,4-Dichlorophenyl)-2-methylpyrimidine-4-carboxylic acid
CID 24277353
6-(3,5-Dichlorophenyl)pyrimidine-4-carboxylic acid
CID 44633035
6-(2,4-Difluorophenyl)pyrimidine-4-carboxylic acid
CID 44633501
6-[3-Chloro-4-(trifluoromethyl)phenyl]-4-pyrimidinecarboxylic acid
CID 67218371
6-(4-Chloro-2-fluorophenyl)-4-pyrimidinecarboxylic acid
CID 71282637
6-(4-Chlorophenyl)pyrimidine-4-carboxylic acid
CID 71282789

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-chloro-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid (CID 57431700) is 6-chloro-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(-c2ccc(F)cc2)n1.
What is the InChIKey of 6-chloro-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid?
The InChIKey is IIECHIRTCURITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O2/c12-9-5-8(11(16)17)14-10(15-9)6-1-3-7(13)4-2-6/h1-5H,(H,16,17).
What are the key properties of 6-chloro-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid?
6-chloro-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid has a molecular weight of 252.63 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 57431700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).