5-fluoro-2-(hydroxymethyl)-3-iodobenzonitrile

C8H5FINO — CID 131346162

IUPAC5-fluoro-2-(hydroxymethyl)-3-iodobenzonitrile
SMILESN#Cc1cc(F)cc(I)c1CO
InChIInChI=1S/C8H5FINO/c9-6-1-5(3-11)7(4-12)8(10)2-6/h1-2,12H,4H2
InChIKeyKSWLBNONCRJPCY-UHFFFAOYSA-N
MW277.04 g/mol
LogP1.79
Rot. Bonds1

About 5-fluoro-2-(hydroxymethyl)-3-iodobenzonitrile

5-fluoro-2-(hydroxymethyl)-3-iodobenzonitrile (PubChem CID 131346162) has the molecular formula C8H5FINO and a molecular weight of 277.04 g/mol. Its IUPAC name is 5-fluoro-2-(hydroxymethyl)-3-iodobenzonitrile.

Molecular Properties

Compound Name5-fluoro-2-(hydroxymethyl)-3-iodobenzonitrile
PubChem CID131346162
Molecular FormulaC8H5FINO
Molecular Weight277.04 g/mol
Exact Mass276.94
IUPAC Name5-fluoro-2-(hydroxymethyl)-3-iodobenzonitrile
SMILESN#Cc1cc(F)cc(I)c1CO
InChIInChI=1S/C8H5FINO/c9-6-1-5(3-11)7(4-12)8(10)2-6/h1-2,12H,4H2
InChIKeyKSWLBNONCRJPCY-UHFFFAOYSA-N
XLogP1.79
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.04
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)-3-iodo-5-methoxybenzonitrile
CID 131284997
5-fluoro-2-iodobenzonitrile
CID 34175641
3-fluoro-2-(hydroxymethyl)-5-methoxybenzonitrile
CID 131297257
3-fluoro-2-(hydroxymethyl)-6-iodobenzonitrile
CID 131342076
2-(hydroxymethyl)-5-iodo-3-nitrobenzonitrile
CID 131592585
3-cyano-5-fluoro-2-iodobenzamide
CID 171021829
2-(hydroxymethyl)-3-methyl-5-(trifluoromethyl)benzonitrile
CID 131574698
5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile
CID 79766541
2,3,5-trifluorobenzonitrile
CID 2776998
2-(hydroxymethyl)-3-iodo-4-(trifluoromethyl)benzonitrile
CID 171024731
3-(cyanomethyl)-5-fluoro-2-hydroxybenzonitrile
CID 131536390
5-fluoro-3-hydroxy-2-methylbenzonitrile
CID 86715311

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(hydroxymethyl)-3-iodobenzonitrile?
The IUPAC name of 5-fluoro-2-(hydroxymethyl)-3-iodobenzonitrile (CID 131346162) is 5-fluoro-2-(hydroxymethyl)-3-iodobenzonitrile.
What is the SMILES notation for 5-fluoro-2-(hydroxymethyl)-3-iodobenzonitrile?
The canonical SMILES for 5-fluoro-2-(hydroxymethyl)-3-iodobenzonitrile is N#Cc1cc(F)cc(I)c1CO.
What is the InChIKey of 5-fluoro-2-(hydroxymethyl)-3-iodobenzonitrile?
The InChIKey is KSWLBNONCRJPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FINO/c9-6-1-5(3-11)7(4-12)8(10)2-6/h1-2,12H,4H2.
What are the key properties of 5-fluoro-2-(hydroxymethyl)-3-iodobenzonitrile?
5-fluoro-2-(hydroxymethyl)-3-iodobenzonitrile has a molecular weight of 277.04 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(hydroxymethyl)-3-iodobenzonitrile is sourced from PubChem (CID 131346162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).