3-(2,6-dichlorophenyl)pentanedinitrile

C11H8Cl2N2 — CID 13034522

IUPAC3-(2,6-dichlorophenyl)pentanedinitrile
SMILESN#CCC(CC#N)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H8Cl2N2/c12-9-2-1-3-10(13)11(9)8(4-6-14)5-7-15/h1-3,8H,4-5H2
InChIKeyVMPFZDLTJUWEPD-UHFFFAOYSA-N
MW239.10 g/mol
LogP3.90
Rot. Bonds3

About 3-(2,6-dichlorophenyl)pentanedinitrile

3-(2,6-dichlorophenyl)pentanedinitrile (PubChem CID 13034522) has the molecular formula C11H8Cl2N2 and a molecular weight of 239.10 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)pentanedinitrile.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)pentanedinitrile
PubChem CID13034522
Molecular FormulaC11H8Cl2N2
Molecular Weight239.10 g/mol
Exact Mass238.01
IUPAC Name3-(2,6-dichlorophenyl)pentanedinitrile
SMILESN#CCC(CC#N)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H8Cl2N2/c12-9-2-1-3-10(13)11(9)8(4-6-14)5-7-15/h1-3,8H,4-5H2
InChIKeyVMPFZDLTJUWEPD-UHFFFAOYSA-N
XLogP3.90
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(2,6-dichlorophenyl)acetonitrile;hydrochloride
CID 13352447
4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutanenitrile
CID 171900532
1,3-dichloro-2-hex-5-yn-3-ylbenzene
CID 83924954
(3S)-3-(2,6-dichlorophenyl)-3-piperazin-1-ylpropanenitrile
CID 171305748
3-(2,3-dichlorophenyl)butanenitrile
CID 83639930
4-(2-chloro-6-nitrophenyl)-3,4-dihydroxybutanenitrile
CID 171901415
3-(3-chlorophenyl)pentanenitrile
CID 83685399
3-(3-chloro-2-fluorophenyl)-3-hydroxypropanenitrile
CID 114489174
4-(2-chloro-6-fluorophenyl)-3-hydroxybutanenitrile
CID 82078369
(2S)-2-(2,6-dichlorophenyl)-3-oxopropanenitrile
CID 93296296
3-(2-bromo-3-chloroanilino)butanenitrile
CID 103478968
3-(3-chloro-N,2-dimethylanilino)butanenitrile
CID 82114706

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)pentanedinitrile?
The IUPAC name of 3-(2,6-dichlorophenyl)pentanedinitrile (CID 13034522) is 3-(2,6-dichlorophenyl)pentanedinitrile.
What is the SMILES notation for 3-(2,6-dichlorophenyl)pentanedinitrile?
The canonical SMILES for 3-(2,6-dichlorophenyl)pentanedinitrile is N#CCC(CC#N)c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)pentanedinitrile?
The InChIKey is VMPFZDLTJUWEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2/c12-9-2-1-3-10(13)11(9)8(4-6-14)5-7-15/h1-3,8H,4-5H2.
What are the key properties of 3-(2,6-dichlorophenyl)pentanedinitrile?
3-(2,6-dichlorophenyl)pentanedinitrile has a molecular weight of 239.10 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)pentanedinitrile is sourced from PubChem (CID 13034522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).