2-anilinopyridine-3-carboxylic acid

C24H20N4O4 — CID 139145274

IUPAC2-anilinopyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1ccccc1.O=C(O)c1cccnc1Nc1ccccc1
InChIInChI=1S/2C12H10N2O2/c2*15-12(16)10-7-4-8-13-11(10)14-9-5-2-1-3-6-9/h2*1-8H,(H,13,14)(H,15,16)
InChIKeyYFSKTICYULUHFY-UHFFFAOYSA-N
MW428.45 g/mol
LogP5.05
Rot. Bonds6

About 2-anilinopyridine-3-carboxylic acid

2-anilinopyridine-3-carboxylic acid (PubChem CID 139145274) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is 2-anilinopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-anilinopyridine-3-carboxylic acid
PubChem CID139145274
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name2-anilinopyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1ccccc1.O=C(O)c1cccnc1Nc1ccccc1
InChIInChI=1S/2C12H10N2O2/c2*15-12(16)10-7-4-8-13-11(10)14-9-5-2-1-3-6-9/h2*1-8H,(H,13,14)(H,15,16)
InChIKeyYFSKTICYULUHFY-UHFFFAOYSA-N
XLogP5.05
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 55.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-anilinopyridine-3-carboxylic acid?
The IUPAC name of 2-anilinopyridine-3-carboxylic acid (CID 139145274) is 2-anilinopyridine-3-carboxylic acid.
What is the SMILES notation for 2-anilinopyridine-3-carboxylic acid?
The canonical SMILES for 2-anilinopyridine-3-carboxylic acid is O=C(O)c1cccnc1Nc1ccccc1.O=C(O)c1cccnc1Nc1ccccc1.
What is the InChIKey of 2-anilinopyridine-3-carboxylic acid?
The InChIKey is YFSKTICYULUHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10N2O2/c2*15-12(16)10-7-4-8-13-11(10)14-9-5-2-1-3-6-9/h2*1-8H,(H,13,14)(H,15,16).
What are the key properties of 2-anilinopyridine-3-carboxylic acid?
2-anilinopyridine-3-carboxylic acid has a molecular weight of 428.45 g/mol, XLogP of 5.05, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinopyridine-3-carboxylic acid is sourced from PubChem (CID 139145274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).