6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidine-4-carboxylic acid

C16H10ClN3O2 — CID 58688349

IUPAC6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2Cl)nc(-c2ccccn2)n1
InChIInChI=1S/C16H10ClN3O2/c17-11-6-2-1-5-10(11)13-9-14(16(21)22)20-15(19-13)12-7-3-4-8-18-12/h1-9H,(H,21,22)
InChIKeyCZELZKMYINWGFG-UHFFFAOYSA-N
MW311.73 g/mol
LogP3.56
Rot. Bonds3

About 6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidine-4-carboxylic acid

6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidine-4-carboxylic acid (PubChem CID 58688349) has the molecular formula C16H10ClN3O2 and a molecular weight of 311.73 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidine-4-carboxylic acid
PubChem CID58688349
Molecular FormulaC16H10ClN3O2
Molecular Weight311.73 g/mol
Exact Mass311.05
IUPAC Name6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2Cl)nc(-c2ccccn2)n1
InChIInChI=1S/C16H10ClN3O2/c17-11-6-2-1-5-10(11)13-9-14(16(21)22)20-15(19-13)12-7-3-4-8-18-12/h1-9H,(H,21,22)
InChIKeyCZELZKMYINWGFG-UHFFFAOYSA-N
XLogP3.56
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidine-4-carboxylic acid (CID 58688349) is 6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidine-4-carboxylic acid is O=C(O)c1cc(-c2ccccc2Cl)nc(-c2ccccn2)n1.
What is the InChIKey of 6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is CZELZKMYINWGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O2/c17-11-6-2-1-5-10(11)13-9-14(16(21)22)20-15(19-13)12-7-3-4-8-18-12/h1-9H,(H,21,22).
What are the key properties of 6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidine-4-carboxylic acid?
6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 311.73 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 58688349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).