2-(2,3-dichlorophenyl)butanenitrile

C10H9Cl2N — CID 89480048

IUPAC2-(2,3-dichlorophenyl)butanenitrile
SMILESCCC(C#N)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H9Cl2N/c1-2-7(6-13)8-4-3-5-9(11)10(8)12/h3-5,7H,2H2,1H3
InChIKeyXKTMBMBIPDVWAX-UHFFFAOYSA-N
MW214.09 g/mol
LogP4.01
Rot. Bonds2

About 2-(2,3-dichlorophenyl)butanenitrile

2-(2,3-dichlorophenyl)butanenitrile (PubChem CID 89480048) has the molecular formula C10H9Cl2N and a molecular weight of 214.09 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)butanenitrile.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)butanenitrile
PubChem CID89480048
Molecular FormulaC10H9Cl2N
Molecular Weight214.09 g/mol
Exact Mass213.01
IUPAC Name2-(2,3-dichlorophenyl)butanenitrile
SMILESCCC(C#N)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H9Cl2N/c1-2-7(6-13)8-4-3-5-9(11)10(8)12/h3-5,7H,2H2,1H3
InChIKeyXKTMBMBIPDVWAX-UHFFFAOYSA-N
XLogP4.01
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-dichlorophenyl)propanenitrile
CID 69268424
1,2-dichloro-3-pentan-3-ylbenzene
CID 67478357
2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile
CID 66071304
(2S)-2-naphthalen-1-ylbutanenitrile
CID 132595059
3-(2,3-dichlorophenyl)butanenitrile
CID 83639930
2-(2,3-dichloro-4-methoxyphenyl)butanenitrile
CID 116964591
ethyl 2-cyano-2-(2,3-dichlorophenyl)acetate
CID 19705040
(2R)-2-(3-chlorophenyl)butanenitrile
CID 175457455
2-(2,3-dichlorophenyl)-2-isocyanatoacetonitrile
CID 82884241
2-(1-cyanopropyl)-6-fluorobenzonitrile
CID 130134605
2-(2-amino-3-fluorophenyl)butanenitrile
CID 130134706
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)butanenitrile?
The IUPAC name of 2-(2,3-dichlorophenyl)butanenitrile (CID 89480048) is 2-(2,3-dichlorophenyl)butanenitrile.
What is the SMILES notation for 2-(2,3-dichlorophenyl)butanenitrile?
The canonical SMILES for 2-(2,3-dichlorophenyl)butanenitrile is CCC(C#N)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)butanenitrile?
The InChIKey is XKTMBMBIPDVWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N/c1-2-7(6-13)8-4-3-5-9(11)10(8)12/h3-5,7H,2H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)butanenitrile?
2-(2,3-dichlorophenyl)butanenitrile has a molecular weight of 214.09 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)butanenitrile is sourced from PubChem (CID 89480048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).