3-amino-5-(4-chlorophenyl)pyridine-2-carboxylic acid

C12H9ClN2O2 — CID 115046366

IUPAC3-amino-5-(4-chlorophenyl)pyridine-2-carboxylic acid
SMILESNc1cc(-c2ccc(Cl)cc2)cnc1C(=O)O
InChIInChI=1S/C12H9ClN2O2/c13-9-3-1-7(2-4-9)8-5-10(14)11(12(16)17)15-6-8/h1-6H,14H2,(H,16,17)
InChIKeyHOMLTAICTNXXLG-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.68
Rot. Bonds2

About 3-amino-5-(4-chlorophenyl)pyridine-2-carboxylic acid

3-amino-5-(4-chlorophenyl)pyridine-2-carboxylic acid (PubChem CID 115046366) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is 3-amino-5-(4-chlorophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(4-chlorophenyl)pyridine-2-carboxylic acid
PubChem CID115046366
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name3-amino-5-(4-chlorophenyl)pyridine-2-carboxylic acid
SMILESNc1cc(-c2ccc(Cl)cc2)cnc1C(=O)O
InChIInChI=1S/C12H9ClN2O2/c13-9-3-1-7(2-4-9)8-5-10(14)11(12(16)17)15-6-8/h1-6H,14H2,(H,16,17)
InChIKeyHOMLTAICTNXXLG-UHFFFAOYSA-N
XLogP2.68
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-chlorophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-5-(4-chlorophenyl)pyridine-2-carboxylic acid (CID 115046366) is 3-amino-5-(4-chlorophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(4-chlorophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(4-chlorophenyl)pyridine-2-carboxylic acid is Nc1cc(-c2ccc(Cl)cc2)cnc1C(=O)O.
What is the InChIKey of 3-amino-5-(4-chlorophenyl)pyridine-2-carboxylic acid?
The InChIKey is HOMLTAICTNXXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c13-9-3-1-7(2-4-9)8-5-10(14)11(12(16)17)15-6-8/h1-6H,14H2,(H,16,17).
What are the key properties of 3-amino-5-(4-chlorophenyl)pyridine-2-carboxylic acid?
3-amino-5-(4-chlorophenyl)pyridine-2-carboxylic acid has a molecular weight of 248.67 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-chlorophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 115046366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).