2-(2-chloroanilino)pyridine-3-carboxamide

C12H10ClN3O — CID 901916

IUPAC2-(2-chloroanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Nc1ccccc1Cl
InChIInChI=1S/C12H10ClN3O/c13-9-5-1-2-6-10(9)16-12-8(11(14)17)4-3-7-15-12/h1-7H,(H2,14,17)(H,15,16)
InChIKeyZKRKZJWVTGZJPI-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.58
Rot. Bonds3

About 2-(2-chloroanilino)pyridine-3-carboxamide

2-(2-chloroanilino)pyridine-3-carboxamide (PubChem CID 901916) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-(2-chloroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-chloroanilino)pyridine-3-carboxamide
PubChem CID901916
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name2-(2-chloroanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Nc1ccccc1Cl
InChIInChI=1S/C12H10ClN3O/c13-9-5-1-2-6-10(9)16-12-8(11(14)17)4-3-7-15-12/h1-7H,(H2,14,17)(H,15,16)
InChIKeyZKRKZJWVTGZJPI-UHFFFAOYSA-N
XLogP2.58
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)pyridine-3-carboxamide?
The IUPAC name of 2-(2-chloroanilino)pyridine-3-carboxamide (CID 901916) is 2-(2-chloroanilino)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-chloroanilino)pyridine-3-carboxamide?
The canonical SMILES for 2-(2-chloroanilino)pyridine-3-carboxamide is NC(=O)c1cccnc1Nc1ccccc1Cl.
What is the InChIKey of 2-(2-chloroanilino)pyridine-3-carboxamide?
The InChIKey is ZKRKZJWVTGZJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-9-5-1-2-6-10(9)16-12-8(11(14)17)4-3-7-15-12/h1-7H,(H2,14,17)(H,15,16).
What are the key properties of 2-(2-chloroanilino)pyridine-3-carboxamide?
2-(2-chloroanilino)pyridine-3-carboxamide has a molecular weight of 247.69 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 901916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).