5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide

C10H6BrClN4O — CID 115635717

IUPAC5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide
SMILESO=C(Nc1cccnn1)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H6BrClN4O/c11-6-4-7(9(12)13-5-6)10(17)15-8-2-1-3-14-16-8/h1-5H,(H,15,16,17)
InChIKeyNGPBAGRJGVYBIJ-UHFFFAOYSA-N
MW313.54 g/mol
LogP2.54
Rot. Bonds2

About 5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide

5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide (PubChem CID 115635717) has the molecular formula C10H6BrClN4O and a molecular weight of 313.54 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide
PubChem CID115635717
Molecular FormulaC10H6BrClN4O
Molecular Weight313.54 g/mol
Exact Mass311.94
IUPAC Name5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide
SMILESO=C(Nc1cccnn1)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H6BrClN4O/c11-6-4-7(9(12)13-5-6)10(17)15-8-2-1-3-14-16-8/h1-5H,(H,15,16,17)
InChIKeyNGPBAGRJGVYBIJ-UHFFFAOYSA-N
XLogP2.54
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.54
LogP ≤ 52.54
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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Related Compounds

5-bromo-2-chloro-N-(1,2,4-triazin-3-yl)pyridine-3-carboxamide
CID 114387334
5-bromo-2-chloro-N-phenylpyridine-3-carboxamide
CID 59781136
2-bromo-4-chloro-N-pyridazin-3-ylbenzamide
CID 103765308
2-amino-4-bromo-N-pyridazin-3-ylbenzamide
CID 116786813
5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 62000214
5-amino-2-chloro-N-pyridazin-3-ylbenzamide
CID 116786031
5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 65491463
4-chloro-N-pyridazin-3-ylpyridine-2-carboxamide
CID 115635761
3-bromo-N-pyridazin-3-ylbenzamide
CID 115635713
2-bromo-4-fluoro-N-pyridazin-3-ylbenzamide
CID 115635735
5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 62000615
2-chloro-3-nitro-N-pyridazin-3-ylpyridine-4-carboxamide
CID 115683157

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide (CID 115635717) is 5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide is O=C(Nc1cccnn1)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide?
The InChIKey is NGPBAGRJGVYBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN4O/c11-6-4-7(9(12)13-5-6)10(17)15-8-2-1-3-14-16-8/h1-5H,(H,15,16,17).
What are the key properties of 5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide?
5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide has a molecular weight of 313.54 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 115635717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).