6-anilinopyridine-3-carboxylic acid

C12H10N2O2 — CID 2771812

IUPAC6-anilinopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ccccc2)nc1
InChIInChI=1S/C12H10N2O2/c15-12(16)9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H,(H,13,14)(H,15,16)
InChIKeyOMGPNSFUSJHLFT-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.52
Rot. Bonds3

About 6-anilinopyridine-3-carboxylic acid

6-anilinopyridine-3-carboxylic acid (PubChem CID 2771812) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-anilinopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-anilinopyridine-3-carboxylic acid
PubChem CID2771812
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name6-anilinopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ccccc2)nc1
InChIInChI=1S/C12H10N2O2/c15-12(16)9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H,(H,13,14)(H,15,16)
InChIKeyOMGPNSFUSJHLFT-UHFFFAOYSA-N
XLogP2.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-anilinopyridine-3-carboxylic acid?
The IUPAC name of 6-anilinopyridine-3-carboxylic acid (CID 2771812) is 6-anilinopyridine-3-carboxylic acid.
What is the SMILES notation for 6-anilinopyridine-3-carboxylic acid?
The canonical SMILES for 6-anilinopyridine-3-carboxylic acid is O=C(O)c1ccc(Nc2ccccc2)nc1.
What is the InChIKey of 6-anilinopyridine-3-carboxylic acid?
The InChIKey is OMGPNSFUSJHLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-12(16)9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H,(H,13,14)(H,15,16).
What are the key properties of 6-anilinopyridine-3-carboxylic acid?
6-anilinopyridine-3-carboxylic acid has a molecular weight of 214.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilinopyridine-3-carboxylic acid is sourced from PubChem (CID 2771812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).