2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid

C13H11ClN2O3 — CID 95482936

IUPAC2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid
SMILESCOc1ccc(-c2ncncc2CC(=O)O)cc1Cl
InChIInChI=1S/C13H11ClN2O3/c1-19-11-3-2-8(4-10(11)14)13-9(5-12(17)18)6-15-7-16-13/h2-4,6-7H,5H2,1H3,(H,17,18)
InChIKeyBSFOYMQMPKJSSL-UHFFFAOYSA-N
MW278.69 g/mol
LogP2.43
Rot. Bonds4

About 2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid

2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid (PubChem CID 95482936) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.69 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid
PubChem CID95482936
Molecular FormulaC13H11ClN2O3
Molecular Weight278.69 g/mol
Exact Mass278.05
IUPAC Name2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid
SMILESCOc1ccc(-c2ncncc2CC(=O)O)cc1Cl
InChIInChI=1S/C13H11ClN2O3/c1-19-11-3-2-8(4-10(11)14)13-9(5-12(17)18)6-15-7-16-13/h2-4,6-7H,5H2,1H3,(H,17,18)
InChIKeyBSFOYMQMPKJSSL-UHFFFAOYSA-N
XLogP2.43
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3-chloro-4-methoxyphenyl)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

2-[4-(2-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 95482947
4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-methoxypyrimidine
CID 46831438
2-[4-(3-hydroxyphenyl)pyrimidin-5-yl]acetic acid
CID 105487587
2-[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82134188
3-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]butanoic acid
CID 110447484
3-[6-(3-chloro-4-methoxyphenyl)-2-methyl-3-pyridinyl]propanoic acid
CID 82453435
5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106510457
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 94703596
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
5-(chloromethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine
CID 18674993
2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid
CID 176513648
4-[6-butyl-3-(3-chloro-4-methoxyphenyl)pyrazin-2-yl]benzoic acid
CID 138654234

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid (CID 95482936) is 2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid is COc1ccc(-c2ncncc2CC(=O)O)cc1Cl.
What is the InChIKey of 2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid?
The InChIKey is BSFOYMQMPKJSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-19-11-3-2-8(4-10(11)14)13-9(5-12(17)18)6-15-7-16-13/h2-4,6-7H,5H2,1H3,(H,17,18).
What are the key properties of 2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid?
2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid has a molecular weight of 278.69 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 95482936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).