2-(chloromethyl)-2-hydroxypentanenitrile

C6H10ClNO — CID 55303165

IUPAC2-(chloromethyl)-2-hydroxypentanenitrile
SMILESCCCC(O)(C#N)CCl
InChIInChI=1S/C6H10ClNO/c1-2-3-6(9,4-7)5-8/h9H,2-4H2,1H3
InChIKeyAUUGFPMKNOUQIM-UHFFFAOYSA-N
MW147.61 g/mol
LogP1.28
Rot. Bonds3

About 2-(chloromethyl)-2-hydroxypentanenitrile

2-(chloromethyl)-2-hydroxypentanenitrile (PubChem CID 55303165) has the molecular formula C6H10ClNO and a molecular weight of 147.61 g/mol. Its IUPAC name is 2-(chloromethyl)-2-hydroxypentanenitrile.

Molecular Properties

Compound Name2-(chloromethyl)-2-hydroxypentanenitrile
PubChem CID55303165
Molecular FormulaC6H10ClNO
Molecular Weight147.61 g/mol
Exact Mass147.05
IUPAC Name2-(chloromethyl)-2-hydroxypentanenitrile
SMILESCCCC(O)(C#N)CCl
InChIInChI=1S/C6H10ClNO/c1-2-3-6(9,4-7)5-8/h9H,2-4H2,1H3
InChIKeyAUUGFPMKNOUQIM-UHFFFAOYSA-N
XLogP1.28
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.61
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-2-hydroxypentanenitrile?
The IUPAC name of 2-(chloromethyl)-2-hydroxypentanenitrile (CID 55303165) is 2-(chloromethyl)-2-hydroxypentanenitrile.
What is the SMILES notation for 2-(chloromethyl)-2-hydroxypentanenitrile?
The canonical SMILES for 2-(chloromethyl)-2-hydroxypentanenitrile is CCCC(O)(C#N)CCl.
What is the InChIKey of 2-(chloromethyl)-2-hydroxypentanenitrile?
The InChIKey is AUUGFPMKNOUQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO/c1-2-3-6(9,4-7)5-8/h9H,2-4H2,1H3.
What are the key properties of 2-(chloromethyl)-2-hydroxypentanenitrile?
2-(chloromethyl)-2-hydroxypentanenitrile has a molecular weight of 147.61 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-2-hydroxypentanenitrile is sourced from PubChem (CID 55303165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).