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

C13H12N2O3 — CID 748369

IUPAC2-(4-methoxyanilino)pyridine-3-carboxylic acid
SMILESCOc1ccc(Nc2ncccc2C(=O)O)cc1
InChIInChI=1S/C13H12N2O3/c1-18-10-6-4-9(5-7-10)15-12-11(13(16)17)3-2-8-14-12/h2-8H,1H3,(H,14,15)(H,16,17)
InChIKeyXGRXAHKHESPCMV-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.53
Rot. Bonds4

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

2-(4-methoxyanilino)pyridine-3-carboxylic acid (PubChem CID 748369) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(4-methoxyanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxyanilino)pyridine-3-carboxylic acid
PubChem CID748369
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-(4-methoxyanilino)pyridine-3-carboxylic acid
SMILESCOc1ccc(Nc2ncccc2C(=O)O)cc1
InChIInChI=1S/C13H12N2O3/c1-18-10-6-4-9(5-7-10)15-12-11(13(16)17)3-2-8-14-12/h2-8H,1H3,(H,14,15)(H,16,17)
InChIKeyXGRXAHKHESPCMV-UHFFFAOYSA-N
XLogP2.53
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-methoxyanilino)pyridine-3-carboxylic acid (CID 748369) is 2-(4-methoxyanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-methoxyanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-methoxyanilino)pyridine-3-carboxylic acid is COc1ccc(Nc2ncccc2C(=O)O)cc1.
What is the InChIKey of 2-(4-methoxyanilino)pyridine-3-carboxylic acid?
The InChIKey is XGRXAHKHESPCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-18-10-6-4-9(5-7-10)15-12-11(13(16)17)3-2-8-14-12/h2-8H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(4-methoxyanilino)pyridine-3-carboxylic acid?
2-(4-methoxyanilino)pyridine-3-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 748369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).