3-chloro-5-hydroxypentanenitrile

C5H8ClNO — CID 21265345

IUPAC3-chloro-5-hydroxypentanenitrile
SMILESN#CCC(Cl)CCO
InChIInChI=1S/C5H8ClNO/c6-5(1-3-7)2-4-8/h5,8H,1-2,4H2
InChIKeyZVXNXYIXDSPXHU-UHFFFAOYSA-N
MW133.58 g/mol
LogP0.89
Rot. Bonds3

About 3-chloro-5-hydroxypentanenitrile

3-chloro-5-hydroxypentanenitrile (PubChem CID 21265345) has the molecular formula C5H8ClNO and a molecular weight of 133.58 g/mol. Its IUPAC name is 3-chloro-5-hydroxypentanenitrile.

Molecular Properties

Compound Name3-chloro-5-hydroxypentanenitrile
PubChem CID21265345
Molecular FormulaC5H8ClNO
Molecular Weight133.58 g/mol
Exact Mass133.03
IUPAC Name3-chloro-5-hydroxypentanenitrile
SMILESN#CCC(Cl)CCO
InChIInChI=1S/C5H8ClNO/c6-5(1-3-7)2-4-8/h5,8H,1-2,4H2
InChIKeyZVXNXYIXDSPXHU-UHFFFAOYSA-N
XLogP0.89
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.58
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloropentanenitrile
CID 23266229
3,3-dichloropropanenitrile
CID 18537751
(3S)-3-chloro-5-phenylpentanenitrile
CID 122393568
4,4-dichlorobutane-1,3-diol
CID 22137487
3-hydroxypentanedi(15N)nitrile
CID 25240589
acetonitrile;3-methylbutan-1-ol;hydrate
CID 87881666
acetonitrile;3-methylbutan-1-ol
CID 161349190
3-[(1-hydroxy-4-methylpentan-3-yl)amino]pentanenitrile
CID 106349487
dimethyl 3-(cyanomethyl)pentanedioate;5-hydroxy-3-(2-hydroxyethyl)pentanenitrile
CID 160669385
(3R)-3-amino-4-hydroxybutanenitrile;hydrochloride
CID 140879376
2-hydroxyacetonitrile
CID 169441671
chloroform;3-methylbutan-1-ol
CID 173101838

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-hydroxypentanenitrile?
The IUPAC name of 3-chloro-5-hydroxypentanenitrile (CID 21265345) is 3-chloro-5-hydroxypentanenitrile.
What is the SMILES notation for 3-chloro-5-hydroxypentanenitrile?
The canonical SMILES for 3-chloro-5-hydroxypentanenitrile is N#CCC(Cl)CCO.
What is the InChIKey of 3-chloro-5-hydroxypentanenitrile?
The InChIKey is ZVXNXYIXDSPXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClNO/c6-5(1-3-7)2-4-8/h5,8H,1-2,4H2.
What are the key properties of 3-chloro-5-hydroxypentanenitrile?
3-chloro-5-hydroxypentanenitrile has a molecular weight of 133.58 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-hydroxypentanenitrile is sourced from PubChem (CID 21265345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).