6-bromo-N-(2,4-difluoro-6-nitrophenyl)pyridine-3-carboxamide

C12H6BrF2N3O3 — CID 81306494

IUPAC6-bromo-N-(2,4-difluoro-6-nitrophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1[N+](=O)[O-])c1ccc(Br)nc1
InChIInChI=1S/C12H6BrF2N3O3/c13-10-2-1-6(5-16-10)12(19)17-11-8(15)3-7(14)4-9(11)18(20)21/h1-5H,(H,17,19)
InChIKeyMMOHYWYAOODVCE-UHFFFAOYSA-N
MW358.10 g/mol
LogP3.28
Rot. Bonds3

About 6-bromo-N-(2,4-difluoro-6-nitrophenyl)pyridine-3-carboxamide

6-bromo-N-(2,4-difluoro-6-nitrophenyl)pyridine-3-carboxamide (PubChem CID 81306494) has the molecular formula C12H6BrF2N3O3 and a molecular weight of 358.10 g/mol. Its IUPAC name is 6-bromo-N-(2,4-difluoro-6-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2,4-difluoro-6-nitrophenyl)pyridine-3-carboxamide
PubChem CID81306494
Molecular FormulaC12H6BrF2N3O3
Molecular Weight358.10 g/mol
Exact Mass356.96
IUPAC Name6-bromo-N-(2,4-difluoro-6-nitrophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1[N+](=O)[O-])c1ccc(Br)nc1
InChIInChI=1S/C12H6BrF2N3O3/c13-10-2-1-6(5-16-10)12(19)17-11-8(15)3-7(14)4-9(11)18(20)21/h1-5H,(H,17,19)
InChIKeyMMOHYWYAOODVCE-UHFFFAOYSA-N
XLogP3.28
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.10
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 107334878
6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide
CID 107641573
6-bromo-N-(4,5-dimethyl-2-nitrophenyl)pyridine-3-carboxamide
CID 66465119
N-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide
CID 105066591
2,5-dibromo-N-(2,4-difluoro-6-nitrophenyl)thiophene-3-carboxamide
CID 107962301
N-(2,4-difluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 81311633
6-bromo-N-(2-bromo-5-fluorophenyl)pyridine-3-carboxamide
CID 103753509
6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide
CID 115669904
6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 66462669
N-(3-bromo-4-nitrophenyl)-6-fluoropyridine-3-carboxamide
CID 82864244
N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide
CID 81313213
4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 81310187

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,4-difluoro-6-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(2,4-difluoro-6-nitrophenyl)pyridine-3-carboxamide (CID 81306494) is 6-bromo-N-(2,4-difluoro-6-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(2,4-difluoro-6-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(2,4-difluoro-6-nitrophenyl)pyridine-3-carboxamide is O=C(Nc1c(F)cc(F)cc1[N+](=O)[O-])c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(2,4-difluoro-6-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is MMOHYWYAOODVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF2N3O3/c13-10-2-1-6(5-16-10)12(19)17-11-8(15)3-7(14)4-9(11)18(20)21/h1-5H,(H,17,19).
What are the key properties of 6-bromo-N-(2,4-difluoro-6-nitrophenyl)pyridine-3-carboxamide?
6-bromo-N-(2,4-difluoro-6-nitrophenyl)pyridine-3-carboxamide has a molecular weight of 358.10 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,4-difluoro-6-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 81306494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).