6-chloro-N-pyridin-3-ylpyridine-2-carboxamide

C11H8ClN3O — CID 62234516

IUPAC6-chloro-N-pyridin-3-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cccc(Cl)n1
InChIInChI=1S/C11H8ClN3O/c12-10-5-1-4-9(15-10)11(16)14-8-3-2-6-13-7-8/h1-7H,(H,14,16)
InChIKeyCTTVTQZNYDSYDZ-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.38
Rot. Bonds2

About 6-chloro-N-pyridin-3-ylpyridine-2-carboxamide

6-chloro-N-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 62234516) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is 6-chloro-N-pyridin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-pyridin-3-ylpyridine-2-carboxamide
PubChem CID62234516
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name6-chloro-N-pyridin-3-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cccc(Cl)n1
InChIInChI=1S/C11H8ClN3O/c12-10-5-1-4-9(15-10)11(16)14-8-3-2-6-13-7-8/h1-7H,(H,14,16)
InChIKeyCTTVTQZNYDSYDZ-UHFFFAOYSA-N
XLogP2.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-chloro-N-pyridin-3-ylpyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-pyridin-3-ylpyridine-2-carboxamide (CID 62234516) is 6-chloro-N-pyridin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-pyridin-3-ylpyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-pyridin-3-ylpyridine-2-carboxamide is O=C(Nc1cccnc1)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-pyridin-3-ylpyridine-2-carboxamide?
The InChIKey is CTTVTQZNYDSYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c12-10-5-1-4-9(15-10)11(16)14-8-3-2-6-13-7-8/h1-7H,(H,14,16).
What are the key properties of 6-chloro-N-pyridin-3-ylpyridine-2-carboxamide?
6-chloro-N-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 233.66 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 62234516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).