5-(3-fluorophenyl)-3-nitropyridine-2-carbonitrile

C12H6FN3O2 — CID 46314520

IUPAC5-(3-fluorophenyl)-3-nitropyridine-2-carbonitrile
SMILESN#Cc1ncc(-c2cccc(F)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H6FN3O2/c13-10-3-1-2-8(4-10)9-5-12(16(17)18)11(6-14)15-7-9/h1-5,7H
InChIKeyYQRYXXSVACXYKR-UHFFFAOYSA-N
MW243.20 g/mol
LogP2.67
Rot. Bonds2

About 5-(3-fluorophenyl)-3-nitropyridine-2-carbonitrile

5-(3-fluorophenyl)-3-nitropyridine-2-carbonitrile (PubChem CID 46314520) has the molecular formula C12H6FN3O2 and a molecular weight of 243.20 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-nitropyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-nitropyridine-2-carbonitrile
PubChem CID46314520
Molecular FormulaC12H6FN3O2
Molecular Weight243.20 g/mol
Exact Mass243.04
IUPAC Name5-(3-fluorophenyl)-3-nitropyridine-2-carbonitrile
SMILESN#Cc1ncc(-c2cccc(F)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H6FN3O2/c13-10-3-1-2-8(4-10)9-5-12(16(17)18)11(6-14)15-7-9/h1-5,7H
InChIKeyYQRYXXSVACXYKR-UHFFFAOYSA-N
XLogP2.67
TPSA79.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.20
LogP ≤ 52.67
H-Bond Donors ≤ 50
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-nitro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 134627330
1-fluoro-4-(3-fluorophenyl)-2-nitrobenzene
CID 46312637
5-bromo-3-nitropyridine-2-carbonitrile
CID 2769698
6-(3-fluorophenoxy)-3-nitropyridine-2-carbonitrile
CID 133499943
4-(3-fluorophenyl)-5-nitropyrimidin-2-amine
CID 114044546
4-fluoro-1-(3-fluorophenyl)-2-nitrobenzene
CID 46312617
2,6-bis(3-fluorophenyl)-4-nitropyridine
CID 46313659
3-chloro-5-(3-fluorophenyl)-4-methylpyridine-2-carbonitrile
CID 162731731
2-fluoro-3,5-bis(3-fluorophenyl)pyridine
CID 46313566
2-(3-fluorophenyl)pyrimidine-5-carbonitrile
CID 45073377
4-[5-(3-fluorophenyl)tetrazol-2-yl]-3-nitrobenzonitrile
CID 18199976
3,5-bis[3-(3-fluorophenyl)phenyl]pyridine
CID 144604637

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-nitropyridine-2-carbonitrile?
The IUPAC name of 5-(3-fluorophenyl)-3-nitropyridine-2-carbonitrile (CID 46314520) is 5-(3-fluorophenyl)-3-nitropyridine-2-carbonitrile.
What is the SMILES notation for 5-(3-fluorophenyl)-3-nitropyridine-2-carbonitrile?
The canonical SMILES for 5-(3-fluorophenyl)-3-nitropyridine-2-carbonitrile is N#Cc1ncc(-c2cccc(F)c2)cc1[N+](=O)[O-].
What is the InChIKey of 5-(3-fluorophenyl)-3-nitropyridine-2-carbonitrile?
The InChIKey is YQRYXXSVACXYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6FN3O2/c13-10-3-1-2-8(4-10)9-5-12(16(17)18)11(6-14)15-7-9/h1-5,7H.
What are the key properties of 5-(3-fluorophenyl)-3-nitropyridine-2-carbonitrile?
5-(3-fluorophenyl)-3-nitropyridine-2-carbonitrile has a molecular weight of 243.20 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-nitropyridine-2-carbonitrile is sourced from PubChem (CID 46314520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).