N-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C13H10BrFN2O2 — CID 71993657

IUPACN-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(F)c(Br)c2)c(=O)[nH]1
InChIInChI=1S/C13H10BrFN2O2/c1-7-2-4-9(12(18)16-7)13(19)17-8-3-5-11(15)10(14)6-8/h2-6H,1H3,(H,16,18)(H,17,19)
InChIKeyZOBSSABIAWRHFK-UHFFFAOYSA-N
MW325.14 g/mol
LogP2.84
Rot. Bonds2

About N-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 71993657) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID71993657
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC NameN-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(F)c(Br)c2)c(=O)[nH]1
InChIInChI=1S/C13H10BrFN2O2/c1-7-2-4-9(12(18)16-7)13(19)17-8-3-5-11(15)10(14)6-8/h2-6H,1H3,(H,16,18)(H,17,19)
InChIKeyZOBSSABIAWRHFK-UHFFFAOYSA-N
XLogP2.84
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113241584
N-(4-bromo-2,6-difluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115666671
N-(3-bromo-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104938593
N-(3-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115701467
N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
CID 114027991
2-chloro-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 115590012
N-(3-chloro-4-methylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 71865261
N-(4-amino-3-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115736650
N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide
CID 115661483
methyl 3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoate
CID 115584192
N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide
CID 104779493
N-(3-bromo-4-fluorophenyl)-2-hydrazinylbenzamide
CID 113452479

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 71993657) is N-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(F)c(Br)c2)c(=O)[nH]1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZOBSSABIAWRHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c1-7-2-4-9(12(18)16-7)13(19)17-8-3-5-11(15)10(14)6-8/h2-6H,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 325.14 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71993657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).