6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide

C12H7BrF2N2O — CID 66462669

IUPAC6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(Br)nc1
InChIInChI=1S/C12H7BrF2N2O/c13-11-4-1-7(6-16-11)12(18)17-8-2-3-9(14)10(15)5-8/h1-6H,(H,17,18)
InChIKeyJCMHQVMRUZJTHX-UHFFFAOYSA-N
MW313.10 g/mol
LogP3.37
Rot. Bonds2

About 6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide

6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide (PubChem CID 66462669) has the molecular formula C12H7BrF2N2O and a molecular weight of 313.10 g/mol. Its IUPAC name is 6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide
PubChem CID66462669
Molecular FormulaC12H7BrF2N2O
Molecular Weight313.10 g/mol
Exact Mass311.97
IUPAC Name6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(Br)nc1
InChIInChI=1S/C12H7BrF2N2O/c13-11-4-1-7(6-16-11)12(18)17-8-2-3-9(14)10(15)5-8/h1-6H,(H,17,18)
InChIKeyJCMHQVMRUZJTHX-UHFFFAOYSA-N
XLogP3.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.10
LogP ≤ 53.37
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-bromo-4-fluorophenyl)pyridine-3-carboxamide
CID 115669904
6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 66462281
N-(6-bromo-3-pyridinyl)-4-fluorobenzamide
CID 44602373
3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide
CID 61090796
6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide
CID 107641573
N-(4-bromo-3-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 65435923
N-(3,4-difluorophenyl)-6-(4-ethylanilino)pyridine-3-carboxamide
CID 109162873
N-(3,4-difluorophenyl)-2-(dimethylamino)pyrimidine-5-carboxamide
CID 53007857
6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide
CID 103874439
6-bromo-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide
CID 66462280
N-(3,4-difluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166701
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide (CID 66462669) is 6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide?
The InChIKey is JCMHQVMRUZJTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2N2O/c13-11-4-1-7(6-16-11)12(18)17-8-2-3-9(14)10(15)5-8/h1-6H,(H,17,18).
What are the key properties of 6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide?
6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide has a molecular weight of 313.10 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 66462669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).