2-fluoro-5-iodo-3-methoxybenzonitrile

C8H5FINO — CID 131285030

IUPAC2-fluoro-5-iodo-3-methoxybenzonitrile
SMILESCOc1cc(I)cc(C#N)c1F
InChIInChI=1S/C8H5FINO/c1-12-7-3-6(10)2-5(4-11)8(7)9/h2-3H,1H3
InChIKeyURZSHXIUYCNTGB-UHFFFAOYSA-N
MW277.04 g/mol
LogP2.31
Rot. Bonds1

About 2-fluoro-5-iodo-3-methoxybenzonitrile

2-fluoro-5-iodo-3-methoxybenzonitrile (PubChem CID 131285030) has the molecular formula C8H5FINO and a molecular weight of 277.04 g/mol. Its IUPAC name is 2-fluoro-5-iodo-3-methoxybenzonitrile.

Molecular Properties

Compound Name2-fluoro-5-iodo-3-methoxybenzonitrile
PubChem CID131285030
Molecular FormulaC8H5FINO
Molecular Weight277.04 g/mol
Exact Mass276.94
IUPAC Name2-fluoro-5-iodo-3-methoxybenzonitrile
SMILESCOc1cc(I)cc(C#N)c1F
InChIInChI=1S/C8H5FINO/c1-12-7-3-6(10)2-5(4-11)8(7)9/h2-3H,1H3
InChIKeyURZSHXIUYCNTGB-UHFFFAOYSA-N
XLogP2.31
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.04
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1,5-diiodo-3-methoxybenzene
CID 130984918
2-fluoro-3-iodo-4-methoxybenzonitrile
CID 131285926
2-(4-iodo-2,6-dimethoxyphenyl)acetonitrile
CID 119002608
4-methoxy-2,5-bis(trifluoromethyl)benzonitrile
CID 119008587
3-(aminomethyl)-5-iodo-2-methoxybenzonitrile
CID 171018808
5,8-dimethoxynaphthalene-2,3-dicarbonitrile
CID 15323116
3-amino-4-fluoro-5-methoxybenzonitrile
CID 131288203
2-amino-5-iodo-4-methoxybenzonitrile
CID 163342952
2-bromo-3-fluoro-5-iodobenzonitrile
CID 171033099
5-fluoro-2-methoxy-4-nitrobenzonitrile
CID 166638353
1-fluoro-4-iodo-2-methoxybenzene
CID 26598241
2-cyano-5-iodo-3-methoxybenzamide
CID 171025537

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-iodo-3-methoxybenzonitrile?
The IUPAC name of 2-fluoro-5-iodo-3-methoxybenzonitrile (CID 131285030) is 2-fluoro-5-iodo-3-methoxybenzonitrile.
What is the SMILES notation for 2-fluoro-5-iodo-3-methoxybenzonitrile?
The canonical SMILES for 2-fluoro-5-iodo-3-methoxybenzonitrile is COc1cc(I)cc(C#N)c1F.
What is the InChIKey of 2-fluoro-5-iodo-3-methoxybenzonitrile?
The InChIKey is URZSHXIUYCNTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FINO/c1-12-7-3-6(10)2-5(4-11)8(7)9/h2-3H,1H3.
What are the key properties of 2-fluoro-5-iodo-3-methoxybenzonitrile?
2-fluoro-5-iodo-3-methoxybenzonitrile has a molecular weight of 277.04 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-iodo-3-methoxybenzonitrile is sourced from PubChem (CID 131285030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).