2-(4,5-dichloro-1H-indol-3-yl)acetonitrile

C10H6Cl2N2 — CID 84789914

IUPAC2-(4,5-dichloro-1H-indol-3-yl)acetonitrile
SMILESN#CCc1c[nH]c2ccc(Cl)c(Cl)c12
InChIInChI=1S/C10H6Cl2N2/c11-7-1-2-8-9(10(7)12)6(3-4-13)5-14-8/h1-2,5,14H,3H2
InChIKeyKFHSGFYYOLCKPI-UHFFFAOYSA-N
MW225.08 g/mol
LogP3.54
Rot. Bonds1

About 2-(4,5-dichloro-1H-indol-3-yl)acetonitrile

2-(4,5-dichloro-1H-indol-3-yl)acetonitrile (PubChem CID 84789914) has the molecular formula C10H6Cl2N2 and a molecular weight of 225.08 g/mol. Its IUPAC name is 2-(4,5-dichloro-1H-indol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(4,5-dichloro-1H-indol-3-yl)acetonitrile
PubChem CID84789914
Molecular FormulaC10H6Cl2N2
Molecular Weight225.08 g/mol
Exact Mass223.99
IUPAC Name2-(4,5-dichloro-1H-indol-3-yl)acetonitrile
SMILESN#CCc1c[nH]c2ccc(Cl)c(Cl)c12
InChIInChI=1S/C10H6Cl2N2/c11-7-1-2-8-9(10(7)12)6(3-4-13)5-14-8/h1-2,5,14H,3H2
InChIKeyKFHSGFYYOLCKPI-UHFFFAOYSA-N
XLogP3.54
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.08
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-1H-indol-3-yl)acetonitrile?
The IUPAC name of 2-(4,5-dichloro-1H-indol-3-yl)acetonitrile (CID 84789914) is 2-(4,5-dichloro-1H-indol-3-yl)acetonitrile.
What is the SMILES notation for 2-(4,5-dichloro-1H-indol-3-yl)acetonitrile?
The canonical SMILES for 2-(4,5-dichloro-1H-indol-3-yl)acetonitrile is N#CCc1c[nH]c2ccc(Cl)c(Cl)c12.
What is the InChIKey of 2-(4,5-dichloro-1H-indol-3-yl)acetonitrile?
The InChIKey is KFHSGFYYOLCKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2/c11-7-1-2-8-9(10(7)12)6(3-4-13)5-14-8/h1-2,5,14H,3H2.
What are the key properties of 2-(4,5-dichloro-1H-indol-3-yl)acetonitrile?
2-(4,5-dichloro-1H-indol-3-yl)acetonitrile has a molecular weight of 225.08 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-1H-indol-3-yl)acetonitrile is sourced from PubChem (CID 84789914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).