6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide

C12H7Br2FN2O — CID 115669904

IUPAC6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Br)c1)c1ccc(Br)nc1
InChIInChI=1S/C12H7Br2FN2O/c13-9-5-8(2-3-10(9)15)17-12(18)7-1-4-11(14)16-6-7/h1-6H,(H,17,18)
InChIKeyQZZICBYIIFANEX-UHFFFAOYSA-N
MW374.01 g/mol
LogP4.00
Rot. Bonds2

About 6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide

6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 115669904) has the molecular formula C12H7Br2FN2O and a molecular weight of 374.01 g/mol. Its IUPAC name is 6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide
PubChem CID115669904
Molecular FormulaC12H7Br2FN2O
Molecular Weight374.01 g/mol
Exact Mass371.89
IUPAC Name6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Br)c1)c1ccc(Br)nc1
InChIInChI=1S/C12H7Br2FN2O/c13-9-5-8(2-3-10(9)15)17-12(18)7-1-4-11(14)16-6-7/h1-6H,(H,17,18)
InChIKeyQZZICBYIIFANEX-UHFFFAOYSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.01
LogP ≤ 54.00
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

6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 66462669
N-(6-bromo-3-pyridinyl)-4-fluorobenzamide
CID 44602373
6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide
CID 107641573
N-(3-bromo-4-fluorophenyl)-5-carbamothioylpyridine-2-carboxamide
CID 104779033
6-bromo-N-(2-bromo-5-fluorophenyl)pyridine-3-carboxamide
CID 103753509
N-(4-bromo-3-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 65435923
6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 66462281
4-bromo-N-(3-bromo-4-fluorophenyl)-3-hydroxybenzamide
CID 113342873
6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide
CID 103874439
6-bromo-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide
CID 66462280
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide (CID 115669904) is 6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide is O=C(Nc1ccc(F)c(Br)c1)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is QZZICBYIIFANEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2FN2O/c13-9-5-8(2-3-10(9)15)17-12(18)7-1-4-11(14)16-6-7/h1-6H,(H,17,18).
What are the key properties of 6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide?
6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 374.01 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 115669904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).