1-(6-chloro-3-pyridinyl)-6-oxopyridine-3-carboxamide

C11H8ClN3O2 — CID 171100709

IUPAC1-(6-chloro-3-pyridinyl)-6-oxopyridine-3-carboxamide
SMILESNC(=O)c1ccc(=O)n(-c2ccc(Cl)nc2)c1
InChIInChI=1S/C11H8ClN3O2/c12-9-3-2-8(5-14-9)15-6-7(11(13)17)1-4-10(15)16/h1-6H,(H2,13,17)
InChIKeyNRWKALDPLCVFJU-UHFFFAOYSA-N
MW249.66 g/mol
LogP0.98
Rot. Bonds2

About 1-(6-chloro-3-pyridinyl)-6-oxopyridine-3-carboxamide

1-(6-chloro-3-pyridinyl)-6-oxopyridine-3-carboxamide (PubChem CID 171100709) has the molecular formula C11H8ClN3O2 and a molecular weight of 249.66 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-6-oxopyridine-3-carboxamide
PubChem CID171100709
Molecular FormulaC11H8ClN3O2
Molecular Weight249.66 g/mol
Exact Mass249.03
IUPAC Name1-(6-chloro-3-pyridinyl)-6-oxopyridine-3-carboxamide
SMILESNC(=O)c1ccc(=O)n(-c2ccc(Cl)nc2)c1
InChIInChI=1S/C11H8ClN3O2/c12-9-3-2-8(5-14-9)15-6-7(11(13)17)1-4-10(15)16/h1-6H,(H2,13,17)
InChIKeyNRWKALDPLCVFJU-UHFFFAOYSA-N
XLogP0.98
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-6-oxopyridine-3-carboxamide (CID 171100709) is 1-(6-chloro-3-pyridinyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-6-oxopyridine-3-carboxamide is NC(=O)c1ccc(=O)n(-c2ccc(Cl)nc2)c1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-6-oxopyridine-3-carboxamide?
The InChIKey is NRWKALDPLCVFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O2/c12-9-3-2-8(5-14-9)15-6-7(11(13)17)1-4-10(15)16/h1-6H,(H2,13,17).
What are the key properties of 1-(6-chloro-3-pyridinyl)-6-oxopyridine-3-carboxamide?
1-(6-chloro-3-pyridinyl)-6-oxopyridine-3-carboxamide has a molecular weight of 249.66 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 171100709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).