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

C11H8ClN3O — CID 1223451

IUPAC2-chloro-N-pyridin-3-ylpyridine-3-carboxamide
SMILESO=C(Nc1cccnc1)c1cccnc1Cl
InChIInChI=1S/C11H8ClN3O/c12-10-9(4-2-6-14-10)11(16)15-8-3-1-5-13-7-8/h1-7H,(H,15,16)
InChIKeyZLNUSEINZFHLBE-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.38
Rot. Bonds2

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

2-chloro-N-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 1223451) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is 2-chloro-N-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-pyridin-3-ylpyridine-3-carboxamide
PubChem CID1223451
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name2-chloro-N-pyridin-3-ylpyridine-3-carboxamide
SMILESO=C(Nc1cccnc1)c1cccnc1Cl
InChIInChI=1S/C11H8ClN3O/c12-10-9(4-2-6-14-10)11(16)15-8-3-1-5-13-7-8/h1-7H,(H,15,16)
InChIKeyZLNUSEINZFHLBE-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 2-chloro-N-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-pyridin-3-ylpyridine-3-carboxamide (CID 1223451) is 2-chloro-N-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-pyridin-3-ylpyridine-3-carboxamide is O=C(Nc1cccnc1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is ZLNUSEINZFHLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c12-10-9(4-2-6-14-10)11(16)15-8-3-1-5-13-7-8/h1-7H,(H,15,16).
What are the key properties of 2-chloro-N-pyridin-3-ylpyridine-3-carboxamide?
2-chloro-N-pyridin-3-ylpyridine-3-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 2-chloro-N-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 1223451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).