5,6-dichloro-1H-indole-2-carbonitrile

C9H4Cl2N2 — CID 137347280

IUPAC5,6-dichloro-1H-indole-2-carbonitrile
SMILESN#Cc1cc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C9H4Cl2N2/c10-7-2-5-1-6(4-12)13-9(5)3-8(7)11/h1-3,13H
InChIKeyLUDHJXRKLHYFBJ-UHFFFAOYSA-N
MW211.05 g/mol
LogP3.35
Rot. Bonds

About 5,6-dichloro-1H-indole-2-carbonitrile

5,6-dichloro-1H-indole-2-carbonitrile (PubChem CID 137347280) has the molecular formula C9H4Cl2N2 and a molecular weight of 211.05 g/mol. Its IUPAC name is 5,6-dichloro-1H-indole-2-carbonitrile.

Molecular Properties

Compound Name5,6-dichloro-1H-indole-2-carbonitrile
PubChem CID137347280
Molecular FormulaC9H4Cl2N2
Molecular Weight211.05 g/mol
Exact Mass209.98
IUPAC Name5,6-dichloro-1H-indole-2-carbonitrile
SMILESN#Cc1cc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C9H4Cl2N2/c10-7-2-5-1-6(4-12)13-9(5)3-8(7)11/h1-3,13H
InChIKeyLUDHJXRKLHYFBJ-UHFFFAOYSA-N
XLogP3.35
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.05
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1H-indole-2-carbonitrile?
The IUPAC name of 5,6-dichloro-1H-indole-2-carbonitrile (CID 137347280) is 5,6-dichloro-1H-indole-2-carbonitrile.
What is the SMILES notation for 5,6-dichloro-1H-indole-2-carbonitrile?
The canonical SMILES for 5,6-dichloro-1H-indole-2-carbonitrile is N#Cc1cc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 5,6-dichloro-1H-indole-2-carbonitrile?
The InChIKey is LUDHJXRKLHYFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2N2/c10-7-2-5-1-6(4-12)13-9(5)3-8(7)11/h1-3,13H.
What are the key properties of 5,6-dichloro-1H-indole-2-carbonitrile?
5,6-dichloro-1H-indole-2-carbonitrile has a molecular weight of 211.05 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1H-indole-2-carbonitrile is sourced from PubChem (CID 137347280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).