2-fluoro-4-hydroxy-3-iodobenzonitrile

C7H3FINO — CID 66988798

IUPAC2-fluoro-4-hydroxy-3-iodobenzonitrile
SMILESN#Cc1ccc(O)c(I)c1F
InChIInChI=1S/C7H3FINO/c8-6-4(3-10)1-2-5(11)7(6)9/h1-2,11H
InChIKeyHPPQDNKQAONDID-UHFFFAOYSA-N
MW263.01 g/mol
LogP2.01
Rot. Bonds

About 2-fluoro-4-hydroxy-3-iodobenzonitrile

2-fluoro-4-hydroxy-3-iodobenzonitrile (PubChem CID 66988798) has the molecular formula C7H3FINO and a molecular weight of 263.01 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-3-iodobenzonitrile.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-3-iodobenzonitrile
PubChem CID66988798
Molecular FormulaC7H3FINO
Molecular Weight263.01 g/mol
Exact Mass262.92
IUPAC Name2-fluoro-4-hydroxy-3-iodobenzonitrile
SMILESN#Cc1ccc(O)c(I)c1F
InChIInChI=1S/C7H3FINO/c8-6-4(3-10)1-2-5(11)7(6)9/h1-2,11H
InChIKeyHPPQDNKQAONDID-UHFFFAOYSA-N
XLogP2.01
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.01
LogP ≤ 52.01
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-fluoro-4-hydroxy-3-methylsulfanylbenzonitrile
CID 117279402
4-cyano-3-fluoro-2-iodobenzoyl chloride
CID 171022102
3-(cyanomethyl)-2-fluoro-4-hydroxybenzonitrile
CID 171020824
2-fluoro-3-iodo-4-methoxybenzonitrile
CID 131285926
2-fluoro-3-hydroxybenzonitrile;2-iodopropane
CID 160539344
3-fluoro-4-hydroxy-2-methoxybenzonitrile
CID 117276441
3-fluoro-2-hydroxy-4-methylbenzonitrile
CID 117275995
2-bromo-4-hydroxy-3-methylbenzonitrile
CID 131627125
2,3-diamino-4-hydroxybenzonitrile
CID 171010799
4-chloro-2,3-difluorobenzonitrile
CID 67940983
7-fluoro-6-hydroxy-1H-indole-3-carbonitrile
CID 130049769
4-(2-chloroacetyl)-3-fluoro-2-iodobenzonitrile
CID 171021646

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-3-iodobenzonitrile?
The IUPAC name of 2-fluoro-4-hydroxy-3-iodobenzonitrile (CID 66988798) is 2-fluoro-4-hydroxy-3-iodobenzonitrile.
What is the SMILES notation for 2-fluoro-4-hydroxy-3-iodobenzonitrile?
The canonical SMILES for 2-fluoro-4-hydroxy-3-iodobenzonitrile is N#Cc1ccc(O)c(I)c1F.
What is the InChIKey of 2-fluoro-4-hydroxy-3-iodobenzonitrile?
The InChIKey is HPPQDNKQAONDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3FINO/c8-6-4(3-10)1-2-5(11)7(6)9/h1-2,11H.
What are the key properties of 2-fluoro-4-hydroxy-3-iodobenzonitrile?
2-fluoro-4-hydroxy-3-iodobenzonitrile has a molecular weight of 263.01 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-3-iodobenzonitrile is sourced from PubChem (CID 66988798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).