2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide

C13H10BrFN2O — CID 113255067

IUPAC2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cccnc1Br
InChIInChI=1S/C13H10BrFN2O/c1-8-4-5-9(15)7-11(8)17-13(18)10-3-2-6-16-12(10)14/h2-7H,1H3,(H,17,18)
InChIKeyIYLCCFMXTDYFJL-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.54
Rot. Bonds2

About 2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide

2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide (PubChem CID 113255067) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is 2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
PubChem CID113255067
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC Name2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cccnc1Br
InChIInChI=1S/C13H10BrFN2O/c1-8-4-5-9(15)7-11(8)17-13(18)10-3-2-6-16-12(10)14/h2-7H,1H3,(H,17,18)
InChIKeyIYLCCFMXTDYFJL-UHFFFAOYSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 53.54
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-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 9097781
2-bromo-N-(5-fluoro-2-methylphenyl)benzamide
CID 2683675
2-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 103752054
N-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 103753400
2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 104870910
2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
N-(5-fluoro-2-methylphenyl)-8-hydroxyquinoline-7-carboxamide
CID 18372561
N-(5-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7777709
5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 65307346
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-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide
CID 103758995

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide (CID 113255067) is 2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide is Cc1ccc(F)cc1NC(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is IYLCCFMXTDYFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c1-8-4-5-9(15)7-11(8)17-13(18)10-3-2-6-16-12(10)14/h2-7H,1H3,(H,17,18).
What are the key properties of 2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide?
2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide has a molecular weight of 309.14 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 113255067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).