2-(4-chlorophenyl)pyrimidine-5-carboxylic acid

C11H7ClN2O2 — CID 6490695

IUPAC2-(4-chlorophenyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(Cl)cc2)nc1
InChIInChI=1S/C11H7ClN2O2/c12-9-3-1-7(2-4-9)10-13-5-8(6-14-10)11(15)16/h1-6H,(H,15,16)
InChIKeyCYZDFCOGTAHKJY-UHFFFAOYSA-N
MW234.64 g/mol
LogP2.50
Rot. Bonds2

About 2-(4-chlorophenyl)pyrimidine-5-carboxylic acid

2-(4-chlorophenyl)pyrimidine-5-carboxylic acid (PubChem CID 6490695) has the molecular formula C11H7ClN2O2 and a molecular weight of 234.64 g/mol. Its IUPAC name is 2-(4-chlorophenyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)pyrimidine-5-carboxylic acid
PubChem CID6490695
Molecular FormulaC11H7ClN2O2
Molecular Weight234.64 g/mol
Exact Mass234.02
IUPAC Name2-(4-chlorophenyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(Cl)cc2)nc1
InChIInChI=1S/C11H7ClN2O2/c12-9-3-1-7(2-4-9)10-13-5-8(6-14-10)11(15)16/h1-6H,(H,15,16)
InChIKeyCYZDFCOGTAHKJY-UHFFFAOYSA-N
XLogP2.50
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.64
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)pyrimidine-5-carboxylic acid (CID 6490695) is 2-(4-chlorophenyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)pyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2ccc(Cl)cc2)nc1.
What is the InChIKey of 2-(4-chlorophenyl)pyrimidine-5-carboxylic acid?
The InChIKey is CYZDFCOGTAHKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O2/c12-9-3-1-7(2-4-9)10-13-5-8(6-14-10)11(15)16/h1-6H,(H,15,16).
What are the key properties of 2-(4-chlorophenyl)pyrimidine-5-carboxylic acid?
2-(4-chlorophenyl)pyrimidine-5-carboxylic acid has a molecular weight of 234.64 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 6490695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).