5-(4,6-dichloroindol-1-yl)pentanenitrile

C13H12Cl2N2 — CID 103428162

IUPAC5-(4,6-dichloroindol-1-yl)pentanenitrile
SMILESN#CCCCCn1ccc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C13H12Cl2N2/c14-10-8-12(15)11-4-7-17(13(11)9-10)6-3-1-2-5-16/h4,7-9H,1-3,6H2
InChIKeyOFXUIPGFWWUCOS-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.64
Rot. Bonds4

About 5-(4,6-dichloroindol-1-yl)pentanenitrile

5-(4,6-dichloroindol-1-yl)pentanenitrile (PubChem CID 103428162) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 5-(4,6-dichloroindol-1-yl)pentanenitrile.

Molecular Properties

Compound Name5-(4,6-dichloroindol-1-yl)pentanenitrile
PubChem CID103428162
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name5-(4,6-dichloroindol-1-yl)pentanenitrile
SMILESN#CCCCCn1ccc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C13H12Cl2N2/c14-10-8-12(15)11-4-7-17(13(11)9-10)6-3-1-2-5-16/h4,7-9H,1-3,6H2
InChIKeyOFXUIPGFWWUCOS-UHFFFAOYSA-N
XLogP4.64
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4,6-dichloroindol-1-yl)pentanenitrile?
The IUPAC name of 5-(4,6-dichloroindol-1-yl)pentanenitrile (CID 103428162) is 5-(4,6-dichloroindol-1-yl)pentanenitrile.
What is the SMILES notation for 5-(4,6-dichloroindol-1-yl)pentanenitrile?
The canonical SMILES for 5-(4,6-dichloroindol-1-yl)pentanenitrile is N#CCCCCn1ccc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 5-(4,6-dichloroindol-1-yl)pentanenitrile?
The InChIKey is OFXUIPGFWWUCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c14-10-8-12(15)11-4-7-17(13(11)9-10)6-3-1-2-5-16/h4,7-9H,1-3,6H2.
What are the key properties of 5-(4,6-dichloroindol-1-yl)pentanenitrile?
5-(4,6-dichloroindol-1-yl)pentanenitrile has a molecular weight of 267.16 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-dichloroindol-1-yl)pentanenitrile is sourced from PubChem (CID 103428162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).