2-fluoro-5-nitro-N-pyridin-4-ylbenzamide

C12H8FN3O3 — CID 43377474

IUPAC2-fluoro-5-nitro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C12H8FN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17)
InChIKeyVKOJAZXXHPRGEW-UHFFFAOYSA-N
MW261.21 g/mol
LogP2.38
Rot. Bonds3

About 2-fluoro-5-nitro-N-pyridin-4-ylbenzamide

2-fluoro-5-nitro-N-pyridin-4-ylbenzamide (PubChem CID 43377474) has the molecular formula C12H8FN3O3 and a molecular weight of 261.21 g/mol. Its IUPAC name is 2-fluoro-5-nitro-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-5-nitro-N-pyridin-4-ylbenzamide
PubChem CID43377474
Molecular FormulaC12H8FN3O3
Molecular Weight261.21 g/mol
Exact Mass261.05
IUPAC Name2-fluoro-5-nitro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C12H8FN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17)
InChIKeyVKOJAZXXHPRGEW-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

N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 170761389
2-fluoro-N-(4-methylphenyl)-5-nitrobenzamide
CID 43377467
2-fluoro-N-(4-iodophenyl)-5-nitrobenzamide
CID 43377569
2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide
CID 115736086
2-fluoro-5-nitro-N-(1,2-oxazol-4-yl)benzamide
CID 62415056
2-fluoro-5-nitro-N-(2-pyridin-4-ylethyl)benzamide
CID 60902986
5-nitro-2-propan-2-ylsulfanyl-N-pyridin-4-ylbenzamide
CID 2807262
N-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide
CID 62901689
N-(4-bromo-3-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 103824688
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide
CID 9410966

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-nitro-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-fluoro-5-nitro-N-pyridin-4-ylbenzamide (CID 43377474) is 2-fluoro-5-nitro-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-fluoro-5-nitro-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-fluoro-5-nitro-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-fluoro-5-nitro-N-pyridin-4-ylbenzamide?
The InChIKey is VKOJAZXXHPRGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17).
What are the key properties of 2-fluoro-5-nitro-N-pyridin-4-ylbenzamide?
2-fluoro-5-nitro-N-pyridin-4-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 2-fluoro-5-nitro-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 43377474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).