2-[4-chloro-2-(4-chlorophenyl)pyrimidin-5-yl]acetic acid

C12H8Cl2N2O2 — CID 117225382

IUPAC2-[4-chloro-2-(4-chlorophenyl)pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(-c2ccc(Cl)cc2)nc1Cl
InChIInChI=1S/C12H8Cl2N2O2/c13-9-3-1-7(2-4-9)12-15-6-8(5-10(17)18)11(14)16-12/h1-4,6H,5H2,(H,17,18)
InChIKeyOQXZZIQTIYNYST-UHFFFAOYSA-N
MW283.11 g/mol
LogP3.08
Rot. Bonds3

About 2-[4-chloro-2-(4-chlorophenyl)pyrimidin-5-yl]acetic acid

2-[4-chloro-2-(4-chlorophenyl)pyrimidin-5-yl]acetic acid (PubChem CID 117225382) has the molecular formula C12H8Cl2N2O2 and a molecular weight of 283.11 g/mol. Its IUPAC name is 2-[4-chloro-2-(4-chlorophenyl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-(4-chlorophenyl)pyrimidin-5-yl]acetic acid
PubChem CID117225382
Molecular FormulaC12H8Cl2N2O2
Molecular Weight283.11 g/mol
Exact Mass282.00
IUPAC Name2-[4-chloro-2-(4-chlorophenyl)pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(-c2ccc(Cl)cc2)nc1Cl
InChIInChI=1S/C12H8Cl2N2O2/c13-9-3-1-7(2-4-9)12-15-6-8(5-10(17)18)11(14)16-12/h1-4,6H,5H2,(H,17,18)
InChIKeyOQXZZIQTIYNYST-UHFFFAOYSA-N
XLogP3.08
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-chloro-2-(4-chlorophenyl)pyrimidin-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine
CID 88856160
carbon dioxide;4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine
CID 159124020
2-(4-chlorophenyl)-5-ethyl-4-methylpyrimidine
CID 129051941
methyl 4-chloro-2-(4-chlorophenyl)pyrimidine-5-carboxylate
CID 82169038
methyl 3-(4-chloro-2-phenylpyrimidin-5-yl)propanoate
CID 117225425
2-[4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-yl]acetic acid
CID 82486126
2-(4-chlorophenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid
CID 82169246
ethyl 4-chloro-2-(4-methylphenyl)pyrimidine-5-carboxylate
CID 82169020
6-chloro-2-(4-chlorophenyl)quinazoline
CID 57333326
2-[2-(4-chlorophenyl)pyrimidin-4-yl]acetamide
CID 154146812
2-(4-chlorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
CID 82169167
2-(4-chlorophenyl)pyrimidin-5-ol
CID 59322178

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(4-chlorophenyl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4-chloro-2-(4-chlorophenyl)pyrimidin-5-yl]acetic acid (CID 117225382) is 2-[4-chloro-2-(4-chlorophenyl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-(4-chlorophenyl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4-chloro-2-(4-chlorophenyl)pyrimidin-5-yl]acetic acid is O=C(O)Cc1cnc(-c2ccc(Cl)cc2)nc1Cl.
What is the InChIKey of 2-[4-chloro-2-(4-chlorophenyl)pyrimidin-5-yl]acetic acid?
The InChIKey is OQXZZIQTIYNYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O2/c13-9-3-1-7(2-4-9)12-15-6-8(5-10(17)18)11(14)16-12/h1-4,6H,5H2,(H,17,18).
What are the key properties of 2-[4-chloro-2-(4-chlorophenyl)pyrimidin-5-yl]acetic acid?
2-[4-chloro-2-(4-chlorophenyl)pyrimidin-5-yl]acetic acid has a molecular weight of 283.11 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(4-chlorophenyl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 117225382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).