2-(2,6-dichlorophenyl)-2-hydroxyacetonitrile

C8H5Cl2NO — CID 13093564

IUPAC2-(2,6-dichlorophenyl)-2-hydroxyacetonitrile
SMILESN#CC(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C8H5Cl2NO/c9-5-2-1-3-6(10)8(5)7(12)4-11/h1-3,7,12H
InChIKeyPQZULIDMYBWYFO-UHFFFAOYSA-N
MW202.04 g/mol
LogP2.55
Rot. Bonds1

About 2-(2,6-dichlorophenyl)-2-hydroxyacetonitrile

2-(2,6-dichlorophenyl)-2-hydroxyacetonitrile (PubChem CID 13093564) has the molecular formula C8H5Cl2NO and a molecular weight of 202.04 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-2-hydroxyacetonitrile.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-2-hydroxyacetonitrile
PubChem CID13093564
Molecular FormulaC8H5Cl2NO
Molecular Weight202.04 g/mol
Exact Mass200.97
IUPAC Name2-(2,6-dichlorophenyl)-2-hydroxyacetonitrile
SMILESN#CC(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C8H5Cl2NO/c9-5-2-1-3-6(10)8(5)7(12)4-11/h1-3,7,12H
InChIKeyPQZULIDMYBWYFO-UHFFFAOYSA-N
XLogP2.55
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.04
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-2-hydroxyacetonitrile?
The IUPAC name of 2-(2,6-dichlorophenyl)-2-hydroxyacetonitrile (CID 13093564) is 2-(2,6-dichlorophenyl)-2-hydroxyacetonitrile.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-2-hydroxyacetonitrile?
The canonical SMILES for 2-(2,6-dichlorophenyl)-2-hydroxyacetonitrile is N#CC(O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-2-hydroxyacetonitrile?
The InChIKey is PQZULIDMYBWYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO/c9-5-2-1-3-6(10)8(5)7(12)4-11/h1-3,7,12H.
What are the key properties of 2-(2,6-dichlorophenyl)-2-hydroxyacetonitrile?
2-(2,6-dichlorophenyl)-2-hydroxyacetonitrile has a molecular weight of 202.04 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-2-hydroxyacetonitrile is sourced from PubChem (CID 13093564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).