2,7-dichloro-1H-indole-3-carbonitrile

C9H4Cl2N2 — CID 82269323

IUPAC2,7-dichloro-1H-indole-3-carbonitrile
SMILESN#Cc1c(Cl)[nH]c2c(Cl)cccc12
InChIInChI=1S/C9H4Cl2N2/c10-7-3-1-2-5-6(4-12)9(11)13-8(5)7/h1-3,13H
InChIKeyCSOQYOMOFAYQPC-UHFFFAOYSA-N
MW211.05 g/mol
LogP3.35
Rot. Bonds

About 2,7-dichloro-1H-indole-3-carbonitrile

2,7-dichloro-1H-indole-3-carbonitrile (PubChem CID 82269323) has the molecular formula C9H4Cl2N2 and a molecular weight of 211.05 g/mol. Its IUPAC name is 2,7-dichloro-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2,7-dichloro-1H-indole-3-carbonitrile
PubChem CID82269323
Molecular FormulaC9H4Cl2N2
Molecular Weight211.05 g/mol
Exact Mass209.98
IUPAC Name2,7-dichloro-1H-indole-3-carbonitrile
SMILESN#Cc1c(Cl)[nH]c2c(Cl)cccc12
InChIInChI=1S/C9H4Cl2N2/c10-7-3-1-2-5-6(4-12)9(11)13-8(5)7/h1-3,13H
InChIKeyCSOQYOMOFAYQPC-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 2,7-dichloro-1H-indole-3-carbonitrile?
The IUPAC name of 2,7-dichloro-1H-indole-3-carbonitrile (CID 82269323) is 2,7-dichloro-1H-indole-3-carbonitrile.
What is the SMILES notation for 2,7-dichloro-1H-indole-3-carbonitrile?
The canonical SMILES for 2,7-dichloro-1H-indole-3-carbonitrile is N#Cc1c(Cl)[nH]c2c(Cl)cccc12.
What is the InChIKey of 2,7-dichloro-1H-indole-3-carbonitrile?
The InChIKey is CSOQYOMOFAYQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2N2/c10-7-3-1-2-5-6(4-12)9(11)13-8(5)7/h1-3,13H.
What are the key properties of 2,7-dichloro-1H-indole-3-carbonitrile?
2,7-dichloro-1H-indole-3-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 2,7-dichloro-1H-indole-3-carbonitrile is sourced from PubChem (CID 82269323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).