6-(3-chlorophenyl)-2-(2-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid

C17H12ClN3O2 — CID 67300956

IUPAC6-(3-chlorophenyl)-2-(2-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid
SMILESCc1ncccc1-c1nc(C(=O)O)cc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H12ClN3O2/c1-10-13(6-3-7-19-10)16-20-14(9-15(21-16)17(22)23)11-4-2-5-12(18)8-11/h2-9H,1H3,(H,22,23)
InChIKeyKOHKKWORQGLSKD-UHFFFAOYSA-N
MW325.76 g/mol
LogP3.87
Rot. Bonds3

About 6-(3-chlorophenyl)-2-(2-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid

6-(3-chlorophenyl)-2-(2-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid (PubChem CID 67300956) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-2-(2-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(3-chlorophenyl)-2-(2-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid
PubChem CID67300956
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC Name6-(3-chlorophenyl)-2-(2-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid
SMILESCc1ncccc1-c1nc(C(=O)O)cc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H12ClN3O2/c1-10-13(6-3-7-19-10)16-20-14(9-15(21-16)17(22)23)11-4-2-5-12(18)8-11/h2-9H,1H3,(H,22,23)
InChIKeyKOHKKWORQGLSKD-UHFFFAOYSA-N
XLogP3.87
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-2-(2-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(3-chlorophenyl)-2-(2-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid (CID 67300956) is 6-(3-chlorophenyl)-2-(2-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(3-chlorophenyl)-2-(2-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(3-chlorophenyl)-2-(2-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid is Cc1ncccc1-c1nc(C(=O)O)cc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 6-(3-chlorophenyl)-2-(2-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid?
The InChIKey is KOHKKWORQGLSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2/c1-10-13(6-3-7-19-10)16-20-14(9-15(21-16)17(22)23)11-4-2-5-12(18)8-11/h2-9H,1H3,(H,22,23).
What are the key properties of 6-(3-chlorophenyl)-2-(2-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid?
6-(3-chlorophenyl)-2-(2-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid has a molecular weight of 325.76 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-2-(2-methyl-3-pyridinyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 67300956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).