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

C11H8Cl2N2O — CID 170427084

IUPAC2-[(6,7-dichloro-1H-indol-4-yl)oxy]propanenitrile
SMILESCC(C#N)Oc1cc(Cl)c(Cl)c2[nH]ccc12
InChIInChI=1S/C11H8Cl2N2O/c1-6(5-14)16-9-4-8(12)10(13)11-7(9)2-3-15-11/h2-4,6,15H,1H3
InChIKeyGYHAQBLHFSMBFG-UHFFFAOYSA-N
MW255.10 g/mol
LogP3.77
Rot. Bonds2

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

2-[(6,7-dichloro-1H-indol-4-yl)oxy]propanenitrile (PubChem CID 170427084) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 2-[(6,7-dichloro-1H-indol-4-yl)oxy]propanenitrile.

Molecular Properties

Compound Name2-[(6,7-dichloro-1H-indol-4-yl)oxy]propanenitrile
PubChem CID170427084
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name2-[(6,7-dichloro-1H-indol-4-yl)oxy]propanenitrile
SMILESCC(C#N)Oc1cc(Cl)c(Cl)c2[nH]ccc12
InChIInChI=1S/C11H8Cl2N2O/c1-6(5-14)16-9-4-8(12)10(13)11-7(9)2-3-15-11/h2-4,6,15H,1H3
InChIKeyGYHAQBLHFSMBFG-UHFFFAOYSA-N
XLogP3.77
TPSA48.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(6,7-dichloro-1H-indol-4-yl)oxy]propanenitrile?
The IUPAC name of 2-[(6,7-dichloro-1H-indol-4-yl)oxy]propanenitrile (CID 170427084) is 2-[(6,7-dichloro-1H-indol-4-yl)oxy]propanenitrile.
What is the SMILES notation for 2-[(6,7-dichloro-1H-indol-4-yl)oxy]propanenitrile?
The canonical SMILES for 2-[(6,7-dichloro-1H-indol-4-yl)oxy]propanenitrile is CC(C#N)Oc1cc(Cl)c(Cl)c2[nH]ccc12.
What is the InChIKey of 2-[(6,7-dichloro-1H-indol-4-yl)oxy]propanenitrile?
The InChIKey is GYHAQBLHFSMBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c1-6(5-14)16-9-4-8(12)10(13)11-7(9)2-3-15-11/h2-4,6,15H,1H3.
What are the key properties of 2-[(6,7-dichloro-1H-indol-4-yl)oxy]propanenitrile?
2-[(6,7-dichloro-1H-indol-4-yl)oxy]propanenitrile has a molecular weight of 255.10 g/mol, XLogP of 3.77, 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]propanenitrile is sourced from PubChem (CID 170427084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).