N-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide

C13H10BrFN2O — CID 107358538

IUPACN-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2F)ccc1Br
InChIInChI=1S/C13H10BrFN2O/c1-8-7-9(4-5-11(8)14)17-13(18)10-3-2-6-16-12(10)15/h2-7H,1H3,(H,17,18)
InChIKeyFRRHKAHEZJZODB-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.54
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide

N-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide (PubChem CID 107358538) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide
PubChem CID107358538
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC NameN-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2F)ccc1Br
InChIInChI=1S/C13H10BrFN2O/c1-8-7-9(4-5-11(8)14)17-13(18)10-3-2-6-16-12(10)15/h2-7H,1H3,(H,17,18)
InChIKeyFRRHKAHEZJZODB-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

N-(4-bromo-3-methylphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62236877
N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide
CID 62338956
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
N-(4-bromo-3-methylphenyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide
CID 18284821
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 107363154
2-amino-N-(4-bromo-3-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 105384093
2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
N-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide
CID 107358587
N-(4-bromo-3-methylphenyl)-2-methylsulfanylbenzamide
CID 1243705
N-(4-bromo-3-methylphenyl)quinoline-4-carboxamide
CID 78911729
N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide
CID 2526988
2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide
CID 107358891

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide (CID 107358538) is N-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide is Cc1cc(NC(=O)c2cccnc2F)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide?
The InChIKey is FRRHKAHEZJZODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c1-8-7-9(4-5-11(8)14)17-13(18)10-3-2-6-16-12(10)15/h2-7H,1H3,(H,17,18).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide?
N-(4-bromo-3-methylphenyl)-2-fluoropyridine-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 N-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 107358538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).