4-(N-aminoanilino)pyridine-3-carboxylic acid

C12H11N3O2 — CID 121009613

IUPAC4-(N-aminoanilino)pyridine-3-carboxylic acid
SMILESNN(c1ccccc1)c1ccncc1C(=O)O
InChIInChI=1S/C12H11N3O2/c13-15(9-4-2-1-3-5-9)11-6-7-14-8-10(11)12(16)17/h1-8H,13H2,(H,16,17)
InChIKeyHJPZKGPYNHWIGE-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.79
Rot. Bonds3

About 4-(N-aminoanilino)pyridine-3-carboxylic acid

4-(N-aminoanilino)pyridine-3-carboxylic acid (PubChem CID 121009613) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-(N-aminoanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(N-aminoanilino)pyridine-3-carboxylic acid
PubChem CID121009613
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name4-(N-aminoanilino)pyridine-3-carboxylic acid
SMILESNN(c1ccccc1)c1ccncc1C(=O)O
InChIInChI=1S/C12H11N3O2/c13-15(9-4-2-1-3-5-9)11-6-7-14-8-10(11)12(16)17/h1-8H,13H2,(H,16,17)
InChIKeyHJPZKGPYNHWIGE-UHFFFAOYSA-N
XLogP1.79
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(N-aminoanilino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(N-aminoanilino)pyridine-3-carboxylic acid (CID 121009613) is 4-(N-aminoanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(N-aminoanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(N-aminoanilino)pyridine-3-carboxylic acid is NN(c1ccccc1)c1ccncc1C(=O)O.
What is the InChIKey of 4-(N-aminoanilino)pyridine-3-carboxylic acid?
The InChIKey is HJPZKGPYNHWIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-15(9-4-2-1-3-5-9)11-6-7-14-8-10(11)12(16)17/h1-8H,13H2,(H,16,17).
What are the key properties of 4-(N-aminoanilino)pyridine-3-carboxylic acid?
4-(N-aminoanilino)pyridine-3-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-aminoanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 121009613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).