2-(4-chloroanilino)pyridine-3-carboxylic acid

C12H9ClN2O2 — CID 1432578

IUPAC2-(4-chloroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1ccc(Cl)cc1
InChIInChI=1S/C12H9ClN2O2/c13-8-3-5-9(6-4-8)15-11-10(12(16)17)2-1-7-14-11/h1-7H,(H,14,15)(H,16,17)
InChIKeyYEXIXVLEDGNAKM-UHFFFAOYSA-N
MW248.67 g/mol
LogP3.18
Rot. Bonds3

About 2-(4-chloroanilino)pyridine-3-carboxylic acid

2-(4-chloroanilino)pyridine-3-carboxylic acid (PubChem CID 1432578) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is 2-(4-chloroanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-chloroanilino)pyridine-3-carboxylic acid
PubChem CID1432578
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name2-(4-chloroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1ccc(Cl)cc1
InChIInChI=1S/C12H9ClN2O2/c13-8-3-5-9(6-4-8)15-11-10(12(16)17)2-1-7-14-11/h1-7H,(H,14,15)(H,16,17)
InChIKeyYEXIXVLEDGNAKM-UHFFFAOYSA-N
XLogP3.18
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-chloroanilino)pyridine-3-carboxylic acid (CID 1432578) is 2-(4-chloroanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-chloroanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-chloroanilino)pyridine-3-carboxylic acid is O=C(O)c1cccnc1Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloroanilino)pyridine-3-carboxylic acid?
The InChIKey is YEXIXVLEDGNAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c13-8-3-5-9(6-4-8)15-11-10(12(16)17)2-1-7-14-11/h1-7H,(H,14,15)(H,16,17).
What are the key properties of 2-(4-chloroanilino)pyridine-3-carboxylic acid?
2-(4-chloroanilino)pyridine-3-carboxylic acid has a molecular weight of 248.67 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 1432578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).