N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide

C13H10BrFN2O — CID 63973713

IUPACN-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(F)nc2)c(Br)c1
InChIInChI=1S/C13H10BrFN2O/c1-8-2-4-11(10(14)6-8)17-13(18)9-3-5-12(15)16-7-9/h2-7H,1H3,(H,17,18)
InChIKeyXPQWLOCYYXDFQK-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.54
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide

N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide (PubChem CID 63973713) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
PubChem CID63973713
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC NameN-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(F)nc2)c(Br)c1
InChIInChI=1S/C13H10BrFN2O/c1-8-2-4-11(10(14)6-8)17-13(18)9-3-5-12(15)16-7-9/h2-7H,1H3,(H,17,18)
InChIKeyXPQWLOCYYXDFQK-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-(2-bromo-4-chlorophenyl)-6-fluoropyridine-3-carboxamide
CID 81028299
N-(2,6-dibromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973532
6-fluoro-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63972736
N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7929866
N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide
CID 110862940
5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414745
N-(2-bromo-4-methylphenyl)-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 109247618
N-(2-bromo-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249495
N-[4-bromo-2-(trifluoromethyl)phenyl]-6-fluoropyridine-3-carboxamide
CID 63971624
6-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
CID 63978415
N-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide
CID 2089579
N-(2-bromo-4-methylphenyl)-4-ethylbenzamide
CID 2547142

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide (CID 63973713) is N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(F)nc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide?
The InChIKey is XPQWLOCYYXDFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c1-8-2-4-11(10(14)6-8)17-13(18)9-3-5-12(15)16-7-9/h2-7H,1H3,(H,17,18).
What are the key properties of N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide?
N-(2-bromo-4-methylphenyl)-6-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-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 63973713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).