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

C13H10BrFN2O — CID 103874101

IUPAC6-bromo-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cccc(Br)n2)c1
InChIInChI=1S/C13H10BrFN2O/c1-8-5-6-9(15)11(7-8)17-13(18)10-3-2-4-12(14)16-10/h2-7H,1H3,(H,17,18)
InChIKeyVNERAQSJEXSXKM-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.54
Rot. Bonds2

About 6-bromo-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide

6-bromo-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide (PubChem CID 103874101) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is 6-bromo-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
PubChem CID103874101
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC Name6-bromo-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cccc(Br)n2)c1
InChIInChI=1S/C13H10BrFN2O/c1-8-5-6-9(15)11(7-8)17-13(18)10-3-2-4-12(14)16-10/h2-7H,1H3,(H,17,18)
InChIKeyVNERAQSJEXSXKM-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

6-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 115496741
6-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 103889775
6-N-(2-fluorophenyl)-2-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100120
6-bromo-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 103874071
6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 103874055
6-amino-N-(5-bromo-2-fluorophenyl)pyridine-2-carboxamide
CID 62239299
2-N-(3-chloro-4-fluorophenyl)-6-N-(2,5-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109100408
2-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 103752054
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
3-bromo-5-chloro-N-(2-fluoro-5-methylphenyl)benzamide
CID 107951534
6-amino-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 62239804
6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 103874038

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide (CID 103874101) is 6-bromo-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide is Cc1ccc(F)c(NC(=O)c2cccc(Br)n2)c1.
What is the InChIKey of 6-bromo-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide?
The InChIKey is VNERAQSJEXSXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c1-8-5-6-9(15)11(7-8)17-13(18)10-3-2-4-12(14)16-10/h2-7H,1H3,(H,17,18).
What are the key properties of 6-bromo-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide?
6-bromo-N-(2-fluoro-5-methylphenyl)pyridine-2-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 6-bromo-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 103874101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).