2-chloro-3-hydroxypropanenitrile

C3H4ClNO — CID 11083844

IUPAC2-chloro-3-hydroxypropanenitrile
SMILESN#CC(Cl)CO
InChIInChI=1S/C3H4ClNO/c4-3(1-5)2-6/h3,6H,2H2
InChIKeyLICPTSGXNNYNSH-UHFFFAOYSA-N
MW105.52 g/mol
LogP0.11
Rot. Bonds1

About 2-chloro-3-hydroxypropanenitrile

2-chloro-3-hydroxypropanenitrile (PubChem CID 11083844) has the molecular formula C3H4ClNO and a molecular weight of 105.52 g/mol. Its IUPAC name is 2-chloro-3-hydroxypropanenitrile.

Molecular Properties

Compound Name2-chloro-3-hydroxypropanenitrile
PubChem CID11083844
Molecular FormulaC3H4ClNO
Molecular Weight105.52 g/mol
Exact Mass105.00
IUPAC Name2-chloro-3-hydroxypropanenitrile
SMILESN#CC(Cl)CO
InChIInChI=1S/C3H4ClNO/c4-3(1-5)2-6/h3,6H,2H2
InChIKeyLICPTSGXNNYNSH-UHFFFAOYSA-N
XLogP0.11
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.52
LogP ≤ 50.11
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

2-chloro-3-trichlorogermylpropanenitrile
CID 87674408
2-chloro-4,4,4-trifluorobutanenitrile
CID 102600003
(2R,3R)-2,3,4-trihydroxybutanenitrile
CID 130677506
2-chloro-3-isocyanatopropanenitrile
CID 12568233
2-chloro-3-[cyclobutyl(2-hydroxyethyl)amino]propanenitrile
CID 102862459
chloroform;oxalonitrile;hydrobromide
CID 88658029
azane;2,2-dichloroethanol
CID 87173184
carbononitridic bromide;chloroform
CID 162167575
3,3,5-trichloro-5-cyanopentanoic acid
CID 20517974
2,3-dichloropropan-1-ol;hydrate
CID 88835584
1-chloropropane-1,2,3-triol;hydrate
CID 141440850
(2S)-2-chloro-3-[4-[4-[(2R)-2-chloro-2-cyanoethyl]phenyl]phenyl]propanenitrile
CID 9093377

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-hydroxypropanenitrile?
The IUPAC name of 2-chloro-3-hydroxypropanenitrile (CID 11083844) is 2-chloro-3-hydroxypropanenitrile.
What is the SMILES notation for 2-chloro-3-hydroxypropanenitrile?
The canonical SMILES for 2-chloro-3-hydroxypropanenitrile is N#CC(Cl)CO.
What is the InChIKey of 2-chloro-3-hydroxypropanenitrile?
The InChIKey is LICPTSGXNNYNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClNO/c4-3(1-5)2-6/h3,6H,2H2.
What are the key properties of 2-chloro-3-hydroxypropanenitrile?
2-chloro-3-hydroxypropanenitrile has a molecular weight of 105.52 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-hydroxypropanenitrile is sourced from PubChem (CID 11083844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).