2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide

C12H7F2N3O3 — CID 115736086

IUPAC2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C12H7F2N3O3/c13-9-6-11(17(19)20)10(14)5-8(9)12(18)16-7-1-3-15-4-2-7/h1-6H,(H,15,16,18)
InChIKeyRVILQFFTFSMUEL-UHFFFAOYSA-N
MW279.20 g/mol
LogP2.52
Rot. Bonds3

About 2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide

2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide (PubChem CID 115736086) has the molecular formula C12H7F2N3O3 and a molecular weight of 279.20 g/mol. Its IUPAC name is 2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide
PubChem CID115736086
Molecular FormulaC12H7F2N3O3
Molecular Weight279.20 g/mol
Exact Mass279.05
IUPAC Name2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C12H7F2N3O3/c13-9-6-11(17(19)20)10(14)5-8(9)12(18)16-7-1-3-15-4-2-7/h1-6H,(H,15,16,18)
InChIKeyRVILQFFTFSMUEL-UHFFFAOYSA-N
XLogP2.52
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 52.52
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

2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide
CID 115736092
2,5-difluoro-N-(4-hydroxyphenyl)-4-nitrobenzamide
CID 115751900
2,5-difluoro-N-(3-fluorophenyl)-4-nitrobenzamide
CID 115736115
4-fluoro-5-(methylamino)-2-nitro-N-pyridin-4-ylbenzamide
CID 62165049
4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide
CID 62242174
2-fluoro-5-nitro-N-pyridin-4-ylbenzamide
CID 43377474
2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
CID 104699464
2,5-difluoro-4-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 115750799
2-nitro-N-pyridin-4-ylbenzamide
CID 766646
2,5-difluoro-4-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 115736037
N-(2-bromo-3-pyridinyl)-2,5-difluoro-4-nitrobenzamide
CID 104705397
N-(4-aminophenyl)-4,5-difluoro-2-nitrobenzamide
CID 63214695

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide?
The IUPAC name of 2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide (CID 115736086) is 2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1cc(F)c([N+](=O)[O-])cc1F.
What is the InChIKey of 2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide?
The InChIKey is RVILQFFTFSMUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N3O3/c13-9-6-11(17(19)20)10(14)5-8(9)12(18)16-7-1-3-15-4-2-7/h1-6H,(H,15,16,18).
What are the key properties of 2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide?
2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide has a molecular weight of 279.20 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 115736086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).