4-fluoro-3-nitro-N-pyridin-3-ylbenzamide

C12H8FN3O3 — CID 43215734

IUPAC4-fluoro-3-nitro-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C12H8FN3O3/c13-10-4-3-8(6-11(10)16(18)19)12(17)15-9-2-1-5-14-7-9/h1-7H,(H,15,17)
InChIKeyINVJATMMIDUFFM-UHFFFAOYSA-N
MW261.21 g/mol
LogP2.38
Rot. Bonds3

About 4-fluoro-3-nitro-N-pyridin-3-ylbenzamide

4-fluoro-3-nitro-N-pyridin-3-ylbenzamide (PubChem CID 43215734) has the molecular formula C12H8FN3O3 and a molecular weight of 261.21 g/mol. Its IUPAC name is 4-fluoro-3-nitro-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-3-nitro-N-pyridin-3-ylbenzamide
PubChem CID43215734
Molecular FormulaC12H8FN3O3
Molecular Weight261.21 g/mol
Exact Mass261.05
IUPAC Name4-fluoro-3-nitro-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C12H8FN3O3/c13-10-4-3-8(6-11(10)16(18)19)12(17)15-9-2-1-5-14-7-9/h1-7H,(H,15,17)
InChIKeyINVJATMMIDUFFM-UHFFFAOYSA-N
XLogP2.38
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 52.38
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

3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide
CID 62681560
N-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide
CID 43215672
N-(2-chloro-3-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 60714349
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
4-[(4-methyl-5-nitro-2-pyridinyl)oxy]-N-pyridin-3-ylbenzamide
CID 133328894
N-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 43243955
3-fluoro-4-methoxy-N-pyridin-3-ylbenzamide
CID 25343484
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
N-(3-bromo-5-methylphenyl)-4-fluoro-3-nitrobenzamide
CID 104938562
3-[(3-bromobenzoyl)amino]-N-(4-fluoro-3-nitrophenyl)benzamide
CID 112832453
4-fluoro-3-nitro-N-sulfanylbenzamide
CID 142948721
4-fluoro-N-(4-methyl-1H-pyrazol-5-yl)-3-nitrobenzamide
CID 112691335

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-nitro-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-fluoro-3-nitro-N-pyridin-3-ylbenzamide (CID 43215734) is 4-fluoro-3-nitro-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-fluoro-3-nitro-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-fluoro-3-nitro-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 4-fluoro-3-nitro-N-pyridin-3-ylbenzamide?
The InChIKey is INVJATMMIDUFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O3/c13-10-4-3-8(6-11(10)16(18)19)12(17)15-9-2-1-5-14-7-9/h1-7H,(H,15,17).
What are the key properties of 4-fluoro-3-nitro-N-pyridin-3-ylbenzamide?
4-fluoro-3-nitro-N-pyridin-3-ylbenzamide has a molecular weight of 261.21 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-nitro-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 43215734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).