2,3-dihydroxy-3-[2-(hydroxyiminomethyl)phenyl]propanenitrile

C10H10N2O3 — CID 171870342

IUPAC2,3-dihydroxy-3-[2-(hydroxyiminomethyl)phenyl]propanenitrile
SMILESN#CC(O)C(O)c1ccccc1C=NO
InChIInChI=1S/C10H10N2O3/c11-5-9(13)10(14)8-4-2-1-3-7(8)6-12-15/h1-4,6,9-10,13-15H
InChIKeyAAXWHJYTIYBEMQ-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.41
Rot. Bonds3

About 2,3-dihydroxy-3-[2-(hydroxyiminomethyl)phenyl]propanenitrile

2,3-dihydroxy-3-[2-(hydroxyiminomethyl)phenyl]propanenitrile (PubChem CID 171870342) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2,3-dihydroxy-3-[2-(hydroxyiminomethyl)phenyl]propanenitrile.

Molecular Properties

Compound Name2,3-dihydroxy-3-[2-(hydroxyiminomethyl)phenyl]propanenitrile
PubChem CID171870342
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2,3-dihydroxy-3-[2-(hydroxyiminomethyl)phenyl]propanenitrile
SMILESN#CC(O)C(O)c1ccccc1C=NO
InChIInChI=1S/C10H10N2O3/c11-5-9(13)10(14)8-4-2-1-3-7(8)6-12-15/h1-4,6,9-10,13-15H
InChIKeyAAXWHJYTIYBEMQ-UHFFFAOYSA-N
XLogP0.41
TPSA96.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-[2-(hydroxyiminomethyl)phenyl]propane-1,2-diol
CID 170828149
2,3-dihydroxy-3-(2-hydroxyphenyl)propanenitrile
CID 171869667
4-bromo-1-[2-(hydroxyiminomethyl)phenyl]butane-1,2-diol
CID 171892121
2,3-dihydroxy-3-(2-iodophenyl)propanenitrile
CID 171871505
(NE)-N-[[2-(1-methoxyethyl)phenyl]methylidene]hydroxylamine
CID 20711802
3,4-dihydroxy-4-[2-(hydroxyiminomethyl)phenyl]butanamide
CID 171899286
3-(2-bromo-3-formylphenyl)-2,3-dihydroxypropanenitrile
CID 171871457
2-(2-cyano-1,2-dihydroxyethyl)benzenecarbothioamide
CID 171870240
2-(2-cyano-1,2-dihydroxyethyl)benzenesulfonyl fluoride
CID 171870545
3-(2-bromo-3-hydroxyphenyl)-2,3-dihydroxypropanenitrile
CID 171871540
2,3-dihydroxy-3-(2-pyrrolidin-1-ylphenyl)propanenitrile
CID 171871499
1-[2-[(E)-hydroxyiminomethyl]phenyl]ethyl acetate
CID 87619875

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-[2-(hydroxyiminomethyl)phenyl]propanenitrile?
The IUPAC name of 2,3-dihydroxy-3-[2-(hydroxyiminomethyl)phenyl]propanenitrile (CID 171870342) is 2,3-dihydroxy-3-[2-(hydroxyiminomethyl)phenyl]propanenitrile.
What is the SMILES notation for 2,3-dihydroxy-3-[2-(hydroxyiminomethyl)phenyl]propanenitrile?
The canonical SMILES for 2,3-dihydroxy-3-[2-(hydroxyiminomethyl)phenyl]propanenitrile is N#CC(O)C(O)c1ccccc1C=NO.
What is the InChIKey of 2,3-dihydroxy-3-[2-(hydroxyiminomethyl)phenyl]propanenitrile?
The InChIKey is AAXWHJYTIYBEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c11-5-9(13)10(14)8-4-2-1-3-7(8)6-12-15/h1-4,6,9-10,13-15H.
What are the key properties of 2,3-dihydroxy-3-[2-(hydroxyiminomethyl)phenyl]propanenitrile?
2,3-dihydroxy-3-[2-(hydroxyiminomethyl)phenyl]propanenitrile has a molecular weight of 206.20 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-[2-(hydroxyiminomethyl)phenyl]propanenitrile is sourced from PubChem (CID 171870342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).