3-fluoro-5-iodobenzonitrile

C7H3FIN — CID 2758988

IUPAC3-fluoro-5-iodobenzonitrile
SMILESN#Cc1cc(F)cc(I)c1
InChIInChI=1S/C7H3FIN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChIKeyFCJNITIJYWQFCM-UHFFFAOYSA-N
MW247.01 g/mol
LogP2.30
Rot. Bonds

About 3-fluoro-5-iodobenzonitrile

3-fluoro-5-iodobenzonitrile (PubChem CID 2758988) has the molecular formula C7H3FIN and a molecular weight of 247.01 g/mol. Its IUPAC name is 3-fluoro-5-iodobenzonitrile.

Molecular Properties

Compound Name3-fluoro-5-iodobenzonitrile
PubChem CID2758988
Molecular FormulaC7H3FIN
Molecular Weight247.01 g/mol
Exact Mass246.93
IUPAC Name3-fluoro-5-iodobenzonitrile
SMILESN#Cc1cc(F)cc(I)c1
InChIInChI=1S/C7H3FIN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChIKeyFCJNITIJYWQFCM-UHFFFAOYSA-N
XLogP2.30
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.01
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-iodobenzonitrile?
The IUPAC name of 3-fluoro-5-iodobenzonitrile (CID 2758988) is 3-fluoro-5-iodobenzonitrile.
What is the SMILES notation for 3-fluoro-5-iodobenzonitrile?
The canonical SMILES for 3-fluoro-5-iodobenzonitrile is N#Cc1cc(F)cc(I)c1.
What is the InChIKey of 3-fluoro-5-iodobenzonitrile?
The InChIKey is FCJNITIJYWQFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3FIN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H.
What are the key properties of 3-fluoro-5-iodobenzonitrile?
3-fluoro-5-iodobenzonitrile has a molecular weight of 247.01 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-iodobenzonitrile is sourced from PubChem (CID 2758988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).