(2S)-5-chloro-2-hydroxy-2-methylpentanenitrile

C6H10ClNO — CID 55302284

IUPAC(2S)-5-chloro-2-hydroxy-2-methylpentanenitrile
SMILESC[C@@](O)(C#N)CCCCl
InChIInChI=1S/C6H10ClNO/c1-6(9,5-8)3-2-4-7/h9H,2-4H2,1H3/t6-/m0/s1
InChIKeyODDQRYAYPPBNBH-LURJTMIESA-N
MW147.60 g/mol
LogP1.28
Rot. Bonds3

About (2S)-5-chloro-2-hydroxy-2-methylpentanenitrile

(2S)-5-chloro-2-hydroxy-2-methylpentanenitrile (PubChem CID 55302284) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is (2S)-5-chloro-2-hydroxy-2-methylpentanenitrile.

Molecular Properties

Compound Name(2S)-5-chloro-2-hydroxy-2-methylpentanenitrile
PubChem CID55302284
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name(2S)-5-chloro-2-hydroxy-2-methylpentanenitrile
SMILESC[C@@](O)(C#N)CCCCl
InChIInChI=1S/C6H10ClNO/c1-6(9,5-8)3-2-4-7/h9H,2-4H2,1H3/t6-/m0/s1
InChIKeyODDQRYAYPPBNBH-LURJTMIESA-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 ≤ 500147.60
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 (2S)-5-chloro-2-hydroxy-2-methylpentanenitrile?
The IUPAC name of (2S)-5-chloro-2-hydroxy-2-methylpentanenitrile (CID 55302284) is (2S)-5-chloro-2-hydroxy-2-methylpentanenitrile.
What is the SMILES notation for (2S)-5-chloro-2-hydroxy-2-methylpentanenitrile?
The canonical SMILES for (2S)-5-chloro-2-hydroxy-2-methylpentanenitrile is C[C@@](O)(C#N)CCCCl.
What is the InChIKey of (2S)-5-chloro-2-hydroxy-2-methylpentanenitrile?
The InChIKey is ODDQRYAYPPBNBH-LURJTMIESA-N. The full InChI is InChI=1S/C6H10ClNO/c1-6(9,5-8)3-2-4-7/h9H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-5-chloro-2-hydroxy-2-methylpentanenitrile?
(2S)-5-chloro-2-hydroxy-2-methylpentanenitrile has a molecular weight of 147.60 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 (2S)-5-chloro-2-hydroxy-2-methylpentanenitrile is sourced from PubChem (CID 55302284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).