6-bromo-N-(6-chloro-2-pyridinyl)pyridine-3-carboxamide

C11H7BrClN3O — CID 79946333

IUPAC6-bromo-N-(6-chloro-2-pyridinyl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)n1)c1ccc(Br)nc1
InChIInChI=1S/C11H7BrClN3O/c12-8-5-4-7(6-14-8)11(17)16-10-3-1-2-9(13)15-10/h1-6H,(H,15,16,17)
InChIKeyRZCBGGMUGMSBQL-UHFFFAOYSA-N
MW312.55 g/mol
LogP3.14
Rot. Bonds2

About 6-bromo-N-(6-chloro-2-pyridinyl)pyridine-3-carboxamide

6-bromo-N-(6-chloro-2-pyridinyl)pyridine-3-carboxamide (PubChem CID 79946333) has the molecular formula C11H7BrClN3O and a molecular weight of 312.55 g/mol. Its IUPAC name is 6-bromo-N-(6-chloro-2-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(6-chloro-2-pyridinyl)pyridine-3-carboxamide
PubChem CID79946333
Molecular FormulaC11H7BrClN3O
Molecular Weight312.55 g/mol
Exact Mass310.95
IUPAC Name6-bromo-N-(6-chloro-2-pyridinyl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)n1)c1ccc(Br)nc1
InChIInChI=1S/C11H7BrClN3O/c12-8-5-4-7(6-14-8)11(17)16-10-3-1-2-9(13)15-10/h1-6H,(H,15,16,17)
InChIKeyRZCBGGMUGMSBQL-UHFFFAOYSA-N
XLogP3.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromo-N-(6-chloro-2-pyridinyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(6-chloro-2-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(6-chloro-2-pyridinyl)pyridine-3-carboxamide (CID 79946333) is 6-bromo-N-(6-chloro-2-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(6-chloro-2-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(6-chloro-2-pyridinyl)pyridine-3-carboxamide is O=C(Nc1cccc(Cl)n1)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(6-chloro-2-pyridinyl)pyridine-3-carboxamide?
The InChIKey is RZCBGGMUGMSBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN3O/c12-8-5-4-7(6-14-8)11(17)16-10-3-1-2-9(13)15-10/h1-6H,(H,15,16,17).
What are the key properties of 6-bromo-N-(6-chloro-2-pyridinyl)pyridine-3-carboxamide?
6-bromo-N-(6-chloro-2-pyridinyl)pyridine-3-carboxamide has a molecular weight of 312.55 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(6-chloro-2-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 79946333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).