2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide

C12H7Br3N2O — CID 114036184

IUPAC2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1c(Br)cccc1Br)c1cccnc1Br
InChIInChI=1S/C12H7Br3N2O/c13-8-4-1-5-9(14)10(8)17-12(18)7-3-2-6-16-11(7)15/h1-6H,(H,17,18)
InChIKeyQBPBTQZISIFSIW-UHFFFAOYSA-N
MW434.91 g/mol
LogP4.62
Rot. Bonds2

About 2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide

2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide (PubChem CID 114036184) has the molecular formula C12H7Br3N2O and a molecular weight of 434.91 g/mol. Its IUPAC name is 2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide
PubChem CID114036184
Molecular FormulaC12H7Br3N2O
Molecular Weight434.91 g/mol
Exact Mass431.81
IUPAC Name2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1c(Br)cccc1Br)c1cccnc1Br
InChIInChI=1S/C12H7Br3N2O/c13-8-4-1-5-9(14)10(8)17-12(18)7-3-2-6-16-11(7)15/h1-6H,(H,17,18)
InChIKeyQBPBTQZISIFSIW-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.91
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide
CID 114036150
2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107596791
2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide
CID 103758995
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 103752138
2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 104870910
2-bromo-N-pyrazin-2-ylpyridine-3-carboxamide
CID 104853695
3-bromo-2-[(2-methoxypyridine-3-carbonyl)amino]benzoic acid
CID 63112978
2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
CID 103842464
2-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103754643
2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide
CID 103751776
2-amino-N-(2,4,6-tribromophenyl)pyridine-3-carboxamide
CID 62156294

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide (CID 114036184) is 2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide is O=C(Nc1c(Br)cccc1Br)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide?
The InChIKey is QBPBTQZISIFSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br3N2O/c13-8-4-1-5-9(14)10(8)17-12(18)7-3-2-6-16-11(7)15/h1-6H,(H,17,18).
What are the key properties of 2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide?
2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide has a molecular weight of 434.91 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 114036184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).