3-fluoro-2-(hydroxymethyl)-6-iodobenzonitrile

C8H5FINO — CID 131342076

IUPAC3-fluoro-2-(hydroxymethyl)-6-iodobenzonitrile
SMILESN#Cc1c(I)ccc(F)c1CO
InChIInChI=1S/C8H5FINO/c9-7-1-2-8(10)5(3-11)6(7)4-12/h1-2,12H,4H2
InChIKeyQBRCKZBCYOVPKF-UHFFFAOYSA-N
MW277.04 g/mol
LogP1.79
Rot. Bonds1

About 3-fluoro-2-(hydroxymethyl)-6-iodobenzonitrile

3-fluoro-2-(hydroxymethyl)-6-iodobenzonitrile (PubChem CID 131342076) has the molecular formula C8H5FINO and a molecular weight of 277.04 g/mol. Its IUPAC name is 3-fluoro-2-(hydroxymethyl)-6-iodobenzonitrile.

Molecular Properties

Compound Name3-fluoro-2-(hydroxymethyl)-6-iodobenzonitrile
PubChem CID131342076
Molecular FormulaC8H5FINO
Molecular Weight277.04 g/mol
Exact Mass276.94
IUPAC Name3-fluoro-2-(hydroxymethyl)-6-iodobenzonitrile
SMILESN#Cc1c(I)ccc(F)c1CO
InChIInChI=1S/C8H5FINO/c9-7-1-2-8(10)5(3-11)6(7)4-12/h1-2,12H,4H2
InChIKeyQBRCKZBCYOVPKF-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

3-fluoro-2-(hydroxymethyl)-6-(trifluoromethyl)benzonitrile
CID 131576499
3-fluoro-6-iodo-2-methylbenzonitrile
CID 154845403
(2-bromo-3-fluoro-6-iodophenyl)methanol
CID 131332714
3-fluoro-6-iodo-2-methoxybenzonitrile
CID 168780938
2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
CID 130077515
2-(aminomethyl)-3,6-difluorobenzonitrile
CID 118991249
2-(hydroxymethyl)-3,6-dimethylbenzonitrile
CID 171015618
5-fluoro-2-(hydroxymethyl)-3-iodobenzonitrile
CID 131346162
3-cyano-2-fluoro-4-iodobenzoic acid
CID 130776628
3-[(4-chlorophenoxy)methyl]-2-fluoro-6-iodobenzonitrile
CID 66681329
3-(2-bromoethyl)-2-fluoro-6-iodobenzonitrile
CID 174507157
6-fluoro-4-(hydroxymethyl)-1-benzothiophene-5-carbonitrile
CID 130951884

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(hydroxymethyl)-6-iodobenzonitrile?
The IUPAC name of 3-fluoro-2-(hydroxymethyl)-6-iodobenzonitrile (CID 131342076) is 3-fluoro-2-(hydroxymethyl)-6-iodobenzonitrile.
What is the SMILES notation for 3-fluoro-2-(hydroxymethyl)-6-iodobenzonitrile?
The canonical SMILES for 3-fluoro-2-(hydroxymethyl)-6-iodobenzonitrile is N#Cc1c(I)ccc(F)c1CO.
What is the InChIKey of 3-fluoro-2-(hydroxymethyl)-6-iodobenzonitrile?
The InChIKey is QBRCKZBCYOVPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FINO/c9-7-1-2-8(10)5(3-11)6(7)4-12/h1-2,12H,4H2.
What are the key properties of 3-fluoro-2-(hydroxymethyl)-6-iodobenzonitrile?
3-fluoro-2-(hydroxymethyl)-6-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 3-fluoro-2-(hydroxymethyl)-6-iodobenzonitrile is sourced from PubChem (CID 131342076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).