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

C13H9BrF2N2O2 — CID 115666671

IUPACN-(4-bromo-2,6-difluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2c(F)cc(Br)cc2F)c(=O)[nH]1
InChIInChI=1S/C13H9BrF2N2O2/c1-6-2-3-8(12(19)17-6)13(20)18-11-9(15)4-7(14)5-10(11)16/h2-5H,1H3,(H,17,19)(H,18,20)
InChIKeySAPPGLGRMVJMRE-UHFFFAOYSA-N
MW343.13 g/mol
LogP2.98
Rot. Bonds2

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

N-(4-bromo-2,6-difluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 115666671) has the molecular formula C13H9BrF2N2O2 and a molecular weight of 343.13 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID115666671
Molecular FormulaC13H9BrF2N2O2
Molecular Weight343.13 g/mol
Exact Mass341.98
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2c(F)cc(Br)cc2F)c(=O)[nH]1
InChIInChI=1S/C13H9BrF2N2O2/c1-6-2-3-8(12(19)17-6)13(20)18-11-9(15)4-7(14)5-10(11)16/h2-5H,1H3,(H,17,19)(H,18,20)
InChIKeySAPPGLGRMVJMRE-UHFFFAOYSA-N
XLogP2.98
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.13
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 71993657
N-(3-bromo-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104938593
N-(4-bromo-3-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113241584
N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide
CID 79754685
N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzamide
CID 65470097
N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide
CID 65469148
2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 65469243
3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methylbenzamide
CID 65469438
2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid
CID 65470052
N-(3-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115701467
N-(4-bromo-2,6-difluorophenyl)-2-methoxybenzamide
CID 65499723
6-methyl-N-(2-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 87009467

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 115666671) is N-(4-bromo-2,6-difluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2c(F)cc(Br)cc2F)c(=O)[nH]1.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is SAPPGLGRMVJMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O2/c1-6-2-3-8(12(19)17-6)13(20)18-11-9(15)4-7(14)5-10(11)16/h2-5H,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-(4-bromo-2,6-difluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 343.13 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 115666671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).