2,3-dihydroxy-3-(2-iodophenyl)propanenitrile

C9H8INO2 — CID 171871505

IUPAC2,3-dihydroxy-3-(2-iodophenyl)propanenitrile
SMILESN#CC(O)C(O)c1ccccc1I
InChIInChI=1S/C9H8INO2/c10-7-4-2-1-3-6(7)9(13)8(12)5-11/h1-4,8-9,12-13H
InChIKeyFZVWDOKDFOICRH-UHFFFAOYSA-N
MW289.07 g/mol
LogP1.21
Rot. Bonds2

About 2,3-dihydroxy-3-(2-iodophenyl)propanenitrile

2,3-dihydroxy-3-(2-iodophenyl)propanenitrile (PubChem CID 171871505) has the molecular formula C9H8INO2 and a molecular weight of 289.07 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(2-iodophenyl)propanenitrile.

Molecular Properties

Compound Name2,3-dihydroxy-3-(2-iodophenyl)propanenitrile
PubChem CID171871505
Molecular FormulaC9H8INO2
Molecular Weight289.07 g/mol
Exact Mass288.96
IUPAC Name2,3-dihydroxy-3-(2-iodophenyl)propanenitrile
SMILESN#CC(O)C(O)c1ccccc1I
InChIInChI=1S/C9H8INO2/c10-7-4-2-1-3-6(7)9(13)8(12)5-11/h1-4,8-9,12-13H
InChIKeyFZVWDOKDFOICRH-UHFFFAOYSA-N
XLogP1.21
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.07
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxy-3-(2-hydroxyphenyl)propanenitrile
CID 171869667
2-(2-cyano-1,2-dihydroxyethyl)benzenesulfonyl fluoride
CID 171870545
2-(2-iodophenyl)propanenitrile
CID 66855147
2-(2-cyano-1,2-dihydroxyethyl)benzenecarbothioamide
CID 171870240
2,3-dihydroxy-3-(1H-indol-7-yl)propanenitrile
CID 171870401
2,3-dihydroxy-3-[2-(hydroxyiminomethyl)phenyl]propanenitrile
CID 171870342
3-(2-bromo-3-hydroxyphenyl)-2,3-dihydroxypropanenitrile
CID 171871540
2,3-dihydroxy-3-(2-pyrrolidin-1-ylphenyl)propanenitrile
CID 171871499
3-(3-bromo-2-methylphenyl)-2,3-dihydroxypropanenitrile
CID 171871303
3-(3-amino-2-fluorophenyl)-2,3-dihydroxypropanenitrile
CID 171869952
3-(2-chloro-3-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171869707
1-(2-iodophenyl)-2-methylpentan-1-ol
CID 107894745

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(2-iodophenyl)propanenitrile?
The IUPAC name of 2,3-dihydroxy-3-(2-iodophenyl)propanenitrile (CID 171871505) is 2,3-dihydroxy-3-(2-iodophenyl)propanenitrile.
What is the SMILES notation for 2,3-dihydroxy-3-(2-iodophenyl)propanenitrile?
The canonical SMILES for 2,3-dihydroxy-3-(2-iodophenyl)propanenitrile is N#CC(O)C(O)c1ccccc1I.
What is the InChIKey of 2,3-dihydroxy-3-(2-iodophenyl)propanenitrile?
The InChIKey is FZVWDOKDFOICRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INO2/c10-7-4-2-1-3-6(7)9(13)8(12)5-11/h1-4,8-9,12-13H.
What are the key properties of 2,3-dihydroxy-3-(2-iodophenyl)propanenitrile?
2,3-dihydroxy-3-(2-iodophenyl)propanenitrile has a molecular weight of 289.07 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(2-iodophenyl)propanenitrile is sourced from PubChem (CID 171871505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).