2-(2,3-dichloroindol-3-yl)acetonitrile

C10H6Cl2N2 — CID 70378779

IUPAC2-(2,3-dichloroindol-3-yl)acetonitrile
SMILESN#CCC1(Cl)C(Cl)=Nc2ccccc21
InChIInChI=1S/C10H6Cl2N2/c11-9-10(12,5-6-13)7-3-1-2-4-8(7)14-9/h1-4H,5H2
InChIKeyQVHWCLNAVQRQSZ-UHFFFAOYSA-N
MW225.08 g/mol
LogP3.32
Rot. Bonds1

About 2-(2,3-dichloroindol-3-yl)acetonitrile

2-(2,3-dichloroindol-3-yl)acetonitrile (PubChem CID 70378779) has the molecular formula C10H6Cl2N2 and a molecular weight of 225.08 g/mol. Its IUPAC name is 2-(2,3-dichloroindol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(2,3-dichloroindol-3-yl)acetonitrile
PubChem CID70378779
Molecular FormulaC10H6Cl2N2
Molecular Weight225.08 g/mol
Exact Mass223.99
IUPAC Name2-(2,3-dichloroindol-3-yl)acetonitrile
SMILESN#CCC1(Cl)C(Cl)=Nc2ccccc21
InChIInChI=1S/C10H6Cl2N2/c11-9-10(12,5-6-13)7-3-1-2-4-8(7)14-9/h1-4H,5H2
InChIKeyQVHWCLNAVQRQSZ-UHFFFAOYSA-N
XLogP3.32
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.08
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroindol-3-yl)acetonitrile?
The IUPAC name of 2-(2,3-dichloroindol-3-yl)acetonitrile (CID 70378779) is 2-(2,3-dichloroindol-3-yl)acetonitrile.
What is the SMILES notation for 2-(2,3-dichloroindol-3-yl)acetonitrile?
The canonical SMILES for 2-(2,3-dichloroindol-3-yl)acetonitrile is N#CCC1(Cl)C(Cl)=Nc2ccccc21.
What is the InChIKey of 2-(2,3-dichloroindol-3-yl)acetonitrile?
The InChIKey is QVHWCLNAVQRQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2/c11-9-10(12,5-6-13)7-3-1-2-4-8(7)14-9/h1-4H,5H2.
What are the key properties of 2-(2,3-dichloroindol-3-yl)acetonitrile?
2-(2,3-dichloroindol-3-yl)acetonitrile has a molecular weight of 225.08 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroindol-3-yl)acetonitrile is sourced from PubChem (CID 70378779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).