6-bromo-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide

C12H10BrN3O — CID 11460538

IUPAC6-bromo-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cccc(Br)n2)n1
InChIInChI=1S/C12H10BrN3O/c1-8-4-2-7-11(14-8)16-12(17)9-5-3-6-10(13)15-9/h2-7H,1H3,(H,14,16,17)
InChIKeyIQNMCFJVBQJVNL-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.80
Rot. Bonds2

About 6-bromo-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide

6-bromo-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide (PubChem CID 11460538) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 6-bromo-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
PubChem CID11460538
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name6-bromo-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cccc(Br)n2)n1
InChIInChI=1S/C12H10BrN3O/c1-8-4-2-7-11(14-8)16-12(17)9-5-3-6-10(13)15-9/h2-7H,1H3,(H,14,16,17)
InChIKeyIQNMCFJVBQJVNL-UHFFFAOYSA-N
XLogP2.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.80
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-bromo-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide (CID 11460538) is 6-bromo-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide is Cc1cccc(NC(=O)c2cccc(Br)n2)n1.
What is the InChIKey of 6-bromo-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide?
The InChIKey is IQNMCFJVBQJVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c1-8-4-2-7-11(14-8)16-12(17)9-5-3-6-10(13)15-9/h2-7H,1H3,(H,14,16,17).
What are the key properties of 6-bromo-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide?
6-bromo-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide has a molecular weight of 292.14 g/mol, XLogP of 2.80, 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-methyl-2-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 11460538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).