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

C9H9NO3 — CID 171869667

IUPAC2,3-dihydroxy-3-(2-hydroxyphenyl)propanenitrile
SMILESN#CC(O)C(O)c1ccccc1O
InChIInChI=1S/C9H9NO3/c10-5-8(12)9(13)6-3-1-2-4-7(6)11/h1-4,8-9,11-13H
InChIKeyHGKQQHZFGBEMID-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.31
Rot. Bonds2

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

2,3-dihydroxy-3-(2-hydroxyphenyl)propanenitrile (PubChem CID 171869667) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(2-hydroxyphenyl)propanenitrile.

Molecular Properties

Compound Name2,3-dihydroxy-3-(2-hydroxyphenyl)propanenitrile
PubChem CID171869667
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name2,3-dihydroxy-3-(2-hydroxyphenyl)propanenitrile
SMILESN#CC(O)C(O)c1ccccc1O
InChIInChI=1S/C9H9NO3/c10-5-8(12)9(13)6-3-1-2-4-7(6)11/h1-4,8-9,11-13H
InChIKeyHGKQQHZFGBEMID-UHFFFAOYSA-N
XLogP0.31
TPSA84.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromo-3-hydroxyphenyl)-2,3-dihydroxypropanenitrile
CID 171871540
2,3-dihydroxy-3-(2-iodophenyl)propanenitrile
CID 171871505
2-hydroxy-2-(2-hydroxyphenyl)acetonitrile
CID 14293611
3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanenitrile
CID 171869831
3,4-dihydroxy-4-(2-hydroxyphenyl)butanenitrile
CID 171900402
2-(2-cyano-1,2-dihydroxyethyl)benzenecarbothioamide
CID 171870240
2,3-dihydroxy-3-[2-(hydroxyiminomethyl)phenyl]propanenitrile
CID 171870342
2-(2-cyano-1,2-dihydroxyethyl)benzenesulfonyl fluoride
CID 171870545
2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanenitrile
CID 171871416
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

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(2-hydroxyphenyl)propanenitrile?
The IUPAC name of 2,3-dihydroxy-3-(2-hydroxyphenyl)propanenitrile (CID 171869667) is 2,3-dihydroxy-3-(2-hydroxyphenyl)propanenitrile.
What is the SMILES notation for 2,3-dihydroxy-3-(2-hydroxyphenyl)propanenitrile?
The canonical SMILES for 2,3-dihydroxy-3-(2-hydroxyphenyl)propanenitrile is N#CC(O)C(O)c1ccccc1O.
What is the InChIKey of 2,3-dihydroxy-3-(2-hydroxyphenyl)propanenitrile?
The InChIKey is HGKQQHZFGBEMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c10-5-8(12)9(13)6-3-1-2-4-7(6)11/h1-4,8-9,11-13H.
What are the key properties of 2,3-dihydroxy-3-(2-hydroxyphenyl)propanenitrile?
2,3-dihydroxy-3-(2-hydroxyphenyl)propanenitrile has a molecular weight of 179.17 g/mol, XLogP of 0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(2-hydroxyphenyl)propanenitrile is sourced from PubChem (CID 171869667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).