3-(2-fluoro-5-nitrophenyl)pyridine-4-carbonitrile

C12H6FN3O2 — CID 22473560

IUPAC3-(2-fluoro-5-nitrophenyl)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1-c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C12H6FN3O2/c13-12-2-1-9(16(17)18)5-10(12)11-7-15-4-3-8(11)6-14/h1-5,7H
InChIKeyROBKIRWTPOVTKD-UHFFFAOYSA-N
MW243.20 g/mol
LogP2.67
Rot. Bonds2

About 3-(2-fluoro-5-nitrophenyl)pyridine-4-carbonitrile

3-(2-fluoro-5-nitrophenyl)pyridine-4-carbonitrile (PubChem CID 22473560) has the molecular formula C12H6FN3O2 and a molecular weight of 243.20 g/mol. Its IUPAC name is 3-(2-fluoro-5-nitrophenyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-fluoro-5-nitrophenyl)pyridine-4-carbonitrile
PubChem CID22473560
Molecular FormulaC12H6FN3O2
Molecular Weight243.20 g/mol
Exact Mass243.04
IUPAC Name3-(2-fluoro-5-nitrophenyl)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1-c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C12H6FN3O2/c13-12-2-1-9(16(17)18)5-10(12)11-7-15-4-3-8(11)6-14/h1-5,7H
InChIKeyROBKIRWTPOVTKD-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-(3-fluoro-4-pyridinyl)pyridine-4-carbonitrile
CID 147199411
4-fluoro-3-(2-methyl-4-nitrophenyl)pyridine
CID 66714730
2-(2-fluoro-5-nitrophenyl)pyrimidine
CID 22473571
2-(5-chloro-2-fluorophenyl)-5-nitrobenzonitrile
CID 171663264
3-(2,4-dichlorophenyl)pyridine-4-carbonitrile
CID 133095084
3-(4-chlorophenyl)pyridine-4-carbonitrile
CID 124706969
2-cyano-4-nitrophenolate
CID 15373227
3-(2,5-diaminophenyl)pyridine-4-carbonitrile
CID 18415391
5-chloro-4-(2-fluoro-5-nitrophenyl)-1-methylpyrazole
CID 175582721
1-fluoro-2-(2-methylsulfanylphenyl)-4-nitrobenzene
CID 22285277
3-(3-chloro-2-fluorophenyl)pyridine-4-carbonitrile
CID 169447841
3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-4-carbonitrile
CID 114416641

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-nitrophenyl)pyridine-4-carbonitrile?
The IUPAC name of 3-(2-fluoro-5-nitrophenyl)pyridine-4-carbonitrile (CID 22473560) is 3-(2-fluoro-5-nitrophenyl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(2-fluoro-5-nitrophenyl)pyridine-4-carbonitrile?
The canonical SMILES for 3-(2-fluoro-5-nitrophenyl)pyridine-4-carbonitrile is N#Cc1ccncc1-c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 3-(2-fluoro-5-nitrophenyl)pyridine-4-carbonitrile?
The InChIKey is ROBKIRWTPOVTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6FN3O2/c13-12-2-1-9(16(17)18)5-10(12)11-7-15-4-3-8(11)6-14/h1-5,7H.
What are the key properties of 3-(2-fluoro-5-nitrophenyl)pyridine-4-carbonitrile?
3-(2-fluoro-5-nitrophenyl)pyridine-4-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 3-(2-fluoro-5-nitrophenyl)pyridine-4-carbonitrile is sourced from PubChem (CID 22473560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).