N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide

C11H7BrClN3O — CID 103789282

IUPACN-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)nc1)c1ccc(Cl)nc1
InChIInChI=1S/C11H7BrClN3O/c12-9-3-2-8(6-14-9)16-11(17)7-1-4-10(13)15-5-7/h1-6H,(H,16,17)
InChIKeyLLVVPHAWXUSZNU-UHFFFAOYSA-N
MW312.55 g/mol
LogP3.14
Rot. Bonds2

About N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide

N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide (PubChem CID 103789282) has the molecular formula C11H7BrClN3O and a molecular weight of 312.55 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
PubChem CID103789282
Molecular FormulaC11H7BrClN3O
Molecular Weight312.55 g/mol
Exact Mass310.95
IUPAC NameN-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)nc1)c1ccc(Cl)nc1
InChIInChI=1S/C11H7BrClN3O/c12-9-3-2-8(6-14-9)16-11(17)7-1-4-10(13)15-5-7/h1-6H,(H,16,17)
InChIKeyLLVVPHAWXUSZNU-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'}

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Related Compounds

6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958
6-chloro-N-(2-chloropyrimidin-5-yl)pyridine-3-carboxamide
CID 10125350
N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
CID 103875090
N-(6-bromo-3-pyridinyl)-4-fluorobenzamide
CID 44602373
N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide
CID 113278384
3-bromo-4-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113329917
N-(6-bromo-3-pyridinyl)-3-chloro-4-iodobenzamide
CID 114051737
6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 66462281
N-(4-bromo-3-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 65435923
3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113286176
N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 3719290
6-chloro-N-(1,2-thiazol-4-yl)pyridine-3-carboxamide
CID 164656939

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide (CID 103789282) is N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide is O=C(Nc1ccc(Br)nc1)c1ccc(Cl)nc1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide?
The InChIKey is LLVVPHAWXUSZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN3O/c12-9-3-2-8(6-14-9)16-11(17)7-1-4-10(13)15-5-7/h1-6H,(H,16,17).
What are the key properties of N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide?
N-(6-bromo-3-pyridinyl)-6-chloropyridine-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 N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide is sourced from PubChem (CID 103789282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).