2-[(6,7-dichloro-1H-indol-4-yl)oxy]acetonitrile

C10H6Cl2N2O — CID 170427561

IUPAC2-[(6,7-dichloro-1H-indol-4-yl)oxy]acetonitrile
SMILESN#CCOc1cc(Cl)c(Cl)c2[nH]ccc12
InChIInChI=1S/C10H6Cl2N2O/c11-7-5-8(15-4-2-13)6-1-3-14-10(6)9(7)12/h1,3,5,14H,4H2
InChIKeyCMXZPNZMXITOBD-UHFFFAOYSA-N
MW241.08 g/mol
LogP3.38
Rot. Bonds2

About 2-[(6,7-dichloro-1H-indol-4-yl)oxy]acetonitrile

2-[(6,7-dichloro-1H-indol-4-yl)oxy]acetonitrile (PubChem CID 170427561) has the molecular formula C10H6Cl2N2O and a molecular weight of 241.08 g/mol. Its IUPAC name is 2-[(6,7-dichloro-1H-indol-4-yl)oxy]acetonitrile.

Molecular Properties

Compound Name2-[(6,7-dichloro-1H-indol-4-yl)oxy]acetonitrile
PubChem CID170427561
Molecular FormulaC10H6Cl2N2O
Molecular Weight241.08 g/mol
Exact Mass239.99
IUPAC Name2-[(6,7-dichloro-1H-indol-4-yl)oxy]acetonitrile
SMILESN#CCOc1cc(Cl)c(Cl)c2[nH]ccc12
InChIInChI=1S/C10H6Cl2N2O/c11-7-5-8(15-4-2-13)6-1-3-14-10(6)9(7)12/h1,3,5,14H,4H2
InChIKeyCMXZPNZMXITOBD-UHFFFAOYSA-N
XLogP3.38
TPSA48.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(6,7-dichloro-1H-indol-4-yl)oxy]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6,7-dichloro-1H-indol-4-yl)oxy]acetonitrile?
The IUPAC name of 2-[(6,7-dichloro-1H-indol-4-yl)oxy]acetonitrile (CID 170427561) is 2-[(6,7-dichloro-1H-indol-4-yl)oxy]acetonitrile.
What is the SMILES notation for 2-[(6,7-dichloro-1H-indol-4-yl)oxy]acetonitrile?
The canonical SMILES for 2-[(6,7-dichloro-1H-indol-4-yl)oxy]acetonitrile is N#CCOc1cc(Cl)c(Cl)c2[nH]ccc12.
What is the InChIKey of 2-[(6,7-dichloro-1H-indol-4-yl)oxy]acetonitrile?
The InChIKey is CMXZPNZMXITOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O/c11-7-5-8(15-4-2-13)6-1-3-14-10(6)9(7)12/h1,3,5,14H,4H2.
What are the key properties of 2-[(6,7-dichloro-1H-indol-4-yl)oxy]acetonitrile?
2-[(6,7-dichloro-1H-indol-4-yl)oxy]acetonitrile has a molecular weight of 241.08 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,7-dichloro-1H-indol-4-yl)oxy]acetonitrile is sourced from PubChem (CID 170427561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).