4,5-difluoro-N-(5-fluoro-2-pyridinyl)-2-nitrobenzamide

C12H6F3N3O3 — CID 63235900

IUPAC4,5-difluoro-N-(5-fluoro-2-pyridinyl)-2-nitrobenzamide
SMILESO=C(Nc1ccc(F)cn1)c1cc(F)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H6F3N3O3/c13-6-1-2-11(16-5-6)17-12(19)7-3-8(14)9(15)4-10(7)18(20)21/h1-5H,(H,16,17,19)
InChIKeyVUPJGHOADKDPPU-UHFFFAOYSA-N
MW297.19 g/mol
LogP2.66
Rot. Bonds3

About 4,5-difluoro-N-(5-fluoro-2-pyridinyl)-2-nitrobenzamide

4,5-difluoro-N-(5-fluoro-2-pyridinyl)-2-nitrobenzamide (PubChem CID 63235900) has the molecular formula C12H6F3N3O3 and a molecular weight of 297.19 g/mol. Its IUPAC name is 4,5-difluoro-N-(5-fluoro-2-pyridinyl)-2-nitrobenzamide.

Molecular Properties

Compound Name4,5-difluoro-N-(5-fluoro-2-pyridinyl)-2-nitrobenzamide
PubChem CID63235900
Molecular FormulaC12H6F3N3O3
Molecular Weight297.19 g/mol
Exact Mass297.04
IUPAC Name4,5-difluoro-N-(5-fluoro-2-pyridinyl)-2-nitrobenzamide
SMILESO=C(Nc1ccc(F)cn1)c1cc(F)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H6F3N3O3/c13-6-1-2-11(16-5-6)17-12(19)7-3-8(14)9(15)4-10(7)18(20)21/h1-5H,(H,16,17,19)
InChIKeyVUPJGHOADKDPPU-UHFFFAOYSA-N
XLogP2.66
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-N-(5-fluoro-2-pyridinyl)-6-nitro-1,3-benzodioxole-5-carboxamide
CID 178008845
N-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide
CID 107595834
N-(5-chloropyrazin-2-yl)-4-fluoro-2-nitrobenzamide
CID 107595729
5-amino-4-fluoro-2-nitro-N-pyridin-2-ylbenzamide
CID 62154161
N-(4-aminophenyl)-4,5-difluoro-2-nitrobenzamide
CID 63214695
N-(3-chloro-2-pyridinyl)-4,5-difluoro-2-nitrobenzamide
CID 103943536
N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-2-nitrobenzamide
CID 115693167
4-fluoro-5-(methylamino)-2-nitro-N-pyridin-2-ylbenzamide
CID 62171860
5-fluoro-2-hydroxy-N-(5-nitro-2-pyridinyl)benzamide
CID 71403106
N-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 43243955
4,5-difluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide
CID 115630128
2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide
CID 115736092

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-N-(5-fluoro-2-pyridinyl)-2-nitrobenzamide?
The IUPAC name of 4,5-difluoro-N-(5-fluoro-2-pyridinyl)-2-nitrobenzamide (CID 63235900) is 4,5-difluoro-N-(5-fluoro-2-pyridinyl)-2-nitrobenzamide.
What is the SMILES notation for 4,5-difluoro-N-(5-fluoro-2-pyridinyl)-2-nitrobenzamide?
The canonical SMILES for 4,5-difluoro-N-(5-fluoro-2-pyridinyl)-2-nitrobenzamide is O=C(Nc1ccc(F)cn1)c1cc(F)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 4,5-difluoro-N-(5-fluoro-2-pyridinyl)-2-nitrobenzamide?
The InChIKey is VUPJGHOADKDPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3N3O3/c13-6-1-2-11(16-5-6)17-12(19)7-3-8(14)9(15)4-10(7)18(20)21/h1-5H,(H,16,17,19).
What are the key properties of 4,5-difluoro-N-(5-fluoro-2-pyridinyl)-2-nitrobenzamide?
4,5-difluoro-N-(5-fluoro-2-pyridinyl)-2-nitrobenzamide has a molecular weight of 297.19 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-N-(5-fluoro-2-pyridinyl)-2-nitrobenzamide is sourced from PubChem (CID 63235900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).