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

C14H11ClN2O2 — CID 62100299

IUPAC2-(2-chlorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2Cl)nc1C1CC1
InChIInChI=1S/C14H11ClN2O2/c15-11-4-2-1-3-9(11)13-16-7-10(14(18)19)12(17-13)8-5-6-8/h1-4,7-8H,5-6H2,(H,18,19)
InChIKeyFFMWUEBTNYIZHR-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.37
Rot. Bonds3

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

2-(2-chlorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid (PubChem CID 62100299) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid
PubChem CID62100299
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name2-(2-chlorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2Cl)nc1C1CC1
InChIInChI=1S/C14H11ClN2O2/c15-11-4-2-1-3-9(11)13-16-7-10(14(18)19)12(17-13)8-5-6-8/h1-4,7-8H,5-6H2,(H,18,19)
InChIKeyFFMWUEBTNYIZHR-UHFFFAOYSA-N
XLogP3.37
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-chlorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid (CID 62100299) is 2-(2-chlorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2ccccc2Cl)nc1C1CC1.
What is the InChIKey of 2-(2-chlorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid?
The InChIKey is FFMWUEBTNYIZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c15-11-4-2-1-3-9(11)13-16-7-10(14(18)19)12(17-13)8-5-6-8/h1-4,7-8H,5-6H2,(H,18,19).
What are the key properties of 2-(2-chlorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid?
2-(2-chlorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid has a molecular weight of 274.71 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 62100299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).