N-(4-bromo-2,5-difluorophenyl)-6-oxo-1H-pyridine-3-carboxamide

C12H7BrF2N2O2 — CID 103842478

IUPACN-(4-bromo-2,5-difluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cc(F)c(Br)cc1F)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H7BrF2N2O2/c13-7-3-9(15)10(4-8(7)14)17-12(19)6-1-2-11(18)16-5-6/h1-5H,(H,16,18)(H,17,19)
InChIKeyCAMRZJKIPZCKGM-UHFFFAOYSA-N
MW329.10 g/mol
LogP2.67
Rot. Bonds2

About N-(4-bromo-2,5-difluorophenyl)-6-oxo-1H-pyridine-3-carboxamide

N-(4-bromo-2,5-difluorophenyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 103842478) has the molecular formula C12H7BrF2N2O2 and a molecular weight of 329.10 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID103842478
Molecular FormulaC12H7BrF2N2O2
Molecular Weight329.10 g/mol
Exact Mass327.97
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cc(F)c(Br)cc1F)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H7BrF2N2O2/c13-7-3-9(15)10(4-8(7)14)17-12(19)6-1-2-11(18)16-5-6/h1-5H,(H,16,18)(H,17,19)
InChIKeyCAMRZJKIPZCKGM-UHFFFAOYSA-N
XLogP2.67
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.10
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide
CID 103842544
N-(4-bromo-3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 65435783
4-[(4-bromo-2,5-difluorophenyl)carbamoyl]benzoic acid
CID 107615306
N-(2-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 28825950
N-(2-bromo-5-iodophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 113231003
N-(2-bromo-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 82707211
4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107608717
N-(3-fluoro-2-iodophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 113340932
3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 103707329
4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide
CID 102848004
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 8840517
N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107676398

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-6-oxo-1H-pyridine-3-carboxamide (CID 103842478) is N-(4-bromo-2,5-difluorophenyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(Nc1cc(F)c(Br)cc1F)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CAMRZJKIPZCKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2N2O2/c13-7-3-9(15)10(4-8(7)14)17-12(19)6-1-2-11(18)16-5-6/h1-5H,(H,16,18)(H,17,19).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(4-bromo-2,5-difluorophenyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 329.10 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103842478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).