2-(2,3-dichlorophenyl)propanenitrile

C9H7Cl2N — CID 69268424

IUPAC2-(2,3-dichlorophenyl)propanenitrile
SMILESCC(C#N)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H7Cl2N/c1-6(5-12)7-3-2-4-8(10)9(7)11/h2-4,6H,1H3
InChIKeyHDVNXDGHMJSIEW-UHFFFAOYSA-N
MW200.07 g/mol
LogP3.62
Rot. Bonds1

About 2-(2,3-dichlorophenyl)propanenitrile

2-(2,3-dichlorophenyl)propanenitrile (PubChem CID 69268424) has the molecular formula C9H7Cl2N and a molecular weight of 200.07 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)propanenitrile.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)propanenitrile
PubChem CID69268424
Molecular FormulaC9H7Cl2N
Molecular Weight200.07 g/mol
Exact Mass199.00
IUPAC Name2-(2,3-dichlorophenyl)propanenitrile
SMILESCC(C#N)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H7Cl2N/c1-6(5-12)7-3-2-4-8(10)9(7)11/h2-4,6H,1H3
InChIKeyHDVNXDGHMJSIEW-UHFFFAOYSA-N
XLogP3.62
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.07
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-iodophenyl)propanenitrile
CID 122656408
2-(2,3-dichlorophenyl)butanenitrile
CID 89480048
3-(2,3-dichlorophenyl)butanenitrile
CID 83639930
2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile
CID 66071304
1-(2,3-dichlorophenyl)ethanamine chloride
CID 51371192
3-(2,3-dichlorophenyl)butyl thiocyanate
CID 112717515
2-(2,3-dihydroxyphenyl)propanenitrile
CID 131537955
[(2,3-dichlorophenyl)-isocyanomethyl] thiocyanate
CID 155653310
2-(2,3-dichlorophenyl)-2-isocyanatoacetonitrile
CID 82884241
2-(2,3-diaminophenyl)propanenitrile
CID 23459353
2-[2-(1-cyanoethyl)-3-methylphenyl]propanenitrile
CID 67685054
(1R,2R)-1-(2,3-dichlorophenyl)propane-1,2-diol;(1S,2S)-1-(2,3-dichlorophenyl)propane-1,2-diol;methane
CID 158468254

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)propanenitrile?
The IUPAC name of 2-(2,3-dichlorophenyl)propanenitrile (CID 69268424) is 2-(2,3-dichlorophenyl)propanenitrile.
What is the SMILES notation for 2-(2,3-dichlorophenyl)propanenitrile?
The canonical SMILES for 2-(2,3-dichlorophenyl)propanenitrile is CC(C#N)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)propanenitrile?
The InChIKey is HDVNXDGHMJSIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N/c1-6(5-12)7-3-2-4-8(10)9(7)11/h2-4,6H,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)propanenitrile?
2-(2,3-dichlorophenyl)propanenitrile has a molecular weight of 200.07 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)propanenitrile is sourced from PubChem (CID 69268424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).