2-(2-fluoro-5-nitrophenyl)azetidine-3-carbonitrile

C10H8FN3O2 — CID 175483475

IUPAC2-(2-fluoro-5-nitrophenyl)azetidine-3-carbonitrile
SMILESN#CC1CNC1c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C10H8FN3O2/c11-9-2-1-7(14(15)16)3-8(9)10-6(4-12)5-13-10/h1-3,6,10,13H,5H2
InChIKeyAXTIQAYQFLUVCS-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.52
Rot. Bonds2

About 2-(2-fluoro-5-nitrophenyl)azetidine-3-carbonitrile

2-(2-fluoro-5-nitrophenyl)azetidine-3-carbonitrile (PubChem CID 175483475) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 2-(2-fluoro-5-nitrophenyl)azetidine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-fluoro-5-nitrophenyl)azetidine-3-carbonitrile
PubChem CID175483475
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name2-(2-fluoro-5-nitrophenyl)azetidine-3-carbonitrile
SMILESN#CC1CNC1c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C10H8FN3O2/c11-9-2-1-7(14(15)16)3-8(9)10-6(4-12)5-13-10/h1-3,6,10,13H,5H2
InChIKeyAXTIQAYQFLUVCS-UHFFFAOYSA-N
XLogP1.52
TPSA78.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.52
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

(2S)-2-(2-fluoro-5-nitrophenyl)azetidine;hydrochloride
CID 171196811
(2S)-2-(2-fluoro-5-nitrophenyl)piperazine
CID 171193757
1-fluoro-4-nitro-2-(trichloromethyl)benzene
CID 23325896
2-(2-fluoro-5-nitrophenyl)-2-methylpropanenitrile
CID 83412636
(6R,6aR,11bS)-6-(2-fluorophenyl)-2-nitro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline
CID 7479270
(1S,2S,10R,11R,12S)-10-(2-fluorophenyl)-5-nitro-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene
CID 18390338
(6S,6aS,11bS)-6-(2-fluorophenyl)-2-nitro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline
CID 11906521
4-(2-fluoro-5-nitrophenyl)but-3-ynenitrile
CID 170475221
3-(2-fluoro-5-nitrophenyl)-6-methyl-1-oxo-3,6-dihydro-2H-1,4-thiazin-5-amine
CID 126633705
4-(2-hydroxy-5-nitrophenyl)pyrrolidin-2-one
CID 131262023
3-(2-fluoro-5-nitrophenyl)pyridine-4-carbonitrile
CID 22473560
2-(5-chloro-2-fluorophenyl)-5-nitrobenzonitrile
CID 171663264

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-nitrophenyl)azetidine-3-carbonitrile?
The IUPAC name of 2-(2-fluoro-5-nitrophenyl)azetidine-3-carbonitrile (CID 175483475) is 2-(2-fluoro-5-nitrophenyl)azetidine-3-carbonitrile.
What is the SMILES notation for 2-(2-fluoro-5-nitrophenyl)azetidine-3-carbonitrile?
The canonical SMILES for 2-(2-fluoro-5-nitrophenyl)azetidine-3-carbonitrile is N#CC1CNC1c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-(2-fluoro-5-nitrophenyl)azetidine-3-carbonitrile?
The InChIKey is AXTIQAYQFLUVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-9-2-1-7(14(15)16)3-8(9)10-6(4-12)5-13-10/h1-3,6,10,13H,5H2.
What are the key properties of 2-(2-fluoro-5-nitrophenyl)azetidine-3-carbonitrile?
2-(2-fluoro-5-nitrophenyl)azetidine-3-carbonitrile has a molecular weight of 221.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-nitrophenyl)azetidine-3-carbonitrile is sourced from PubChem (CID 175483475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).