4-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-2-carboxylic acid

C14H11ClN2O3 — CID 134155572

IUPAC4-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nccc(-c2ccc(OC3CC3)c(Cl)c2)n1
InChIInChI=1S/C14H11ClN2O3/c15-10-7-8(1-4-12(10)20-9-2-3-9)11-5-6-16-13(17-11)14(18)19/h1,4-7,9H,2-3H2,(H,18,19)
InChIKeySKLFIIGEXZGVMW-UHFFFAOYSA-N
MW290.71 g/mol
LogP3.04
Rot. Bonds4

About 4-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-2-carboxylic acid

4-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-2-carboxylic acid (PubChem CID 134155572) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 4-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-2-carboxylic acid
PubChem CID134155572
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name4-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nccc(-c2ccc(OC3CC3)c(Cl)c2)n1
InChIInChI=1S/C14H11ClN2O3/c15-10-7-8(1-4-12(10)20-9-2-3-9)11-5-6-16-13(17-11)14(18)19/h1,4-7,9H,2-3H2,(H,18,19)
InChIKeySKLFIIGEXZGVMW-UHFFFAOYSA-N
XLogP3.04
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-2-carboxylic acid?
The IUPAC name of 4-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-2-carboxylic acid (CID 134155572) is 4-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-2-carboxylic acid is O=C(O)c1nccc(-c2ccc(OC3CC3)c(Cl)c2)n1.
What is the InChIKey of 4-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-2-carboxylic acid?
The InChIKey is SKLFIIGEXZGVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-10-7-8(1-4-12(10)20-9-2-3-9)11-5-6-16-13(17-11)14(18)19/h1,4-7,9H,2-3H2,(H,18,19).
What are the key properties of 4-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-2-carboxylic acid?
4-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-2-carboxylic acid has a molecular weight of 290.71 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 134155572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).