5,6-dichloro-3-formyl-1H-indole-2-carbonitrile

C10H4Cl2N2O — CID 135008410

IUPAC5,6-dichloro-3-formyl-1H-indole-2-carbonitrile
SMILESN#Cc1[nH]c2cc(Cl)c(Cl)cc2c1C=O
InChIInChI=1S/C10H4Cl2N2O/c11-7-1-5-6(4-15)10(3-13)14-9(5)2-8(7)12/h1-2,4,14H
InChIKeyLCYOTGROSGINRA-UHFFFAOYSA-N
MW239.06 g/mol
LogP3.16
Rot. Bonds1

About 5,6-dichloro-3-formyl-1H-indole-2-carbonitrile

5,6-dichloro-3-formyl-1H-indole-2-carbonitrile (PubChem CID 135008410) has the molecular formula C10H4Cl2N2O and a molecular weight of 239.06 g/mol. Its IUPAC name is 5,6-dichloro-3-formyl-1H-indole-2-carbonitrile.

Molecular Properties

Compound Name5,6-dichloro-3-formyl-1H-indole-2-carbonitrile
PubChem CID135008410
Molecular FormulaC10H4Cl2N2O
Molecular Weight239.06 g/mol
Exact Mass237.97
IUPAC Name5,6-dichloro-3-formyl-1H-indole-2-carbonitrile
SMILESN#Cc1[nH]c2cc(Cl)c(Cl)cc2c1C=O
InChIInChI=1S/C10H4Cl2N2O/c11-7-1-5-6(4-15)10(3-13)14-9(5)2-8(7)12/h1-2,4,14H
InChIKeyLCYOTGROSGINRA-UHFFFAOYSA-N
XLogP3.16
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-formyl-1H-indole-2-carbonitrile?
The IUPAC name of 5,6-dichloro-3-formyl-1H-indole-2-carbonitrile (CID 135008410) is 5,6-dichloro-3-formyl-1H-indole-2-carbonitrile.
What is the SMILES notation for 5,6-dichloro-3-formyl-1H-indole-2-carbonitrile?
The canonical SMILES for 5,6-dichloro-3-formyl-1H-indole-2-carbonitrile is N#Cc1[nH]c2cc(Cl)c(Cl)cc2c1C=O.
What is the InChIKey of 5,6-dichloro-3-formyl-1H-indole-2-carbonitrile?
The InChIKey is LCYOTGROSGINRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2N2O/c11-7-1-5-6(4-15)10(3-13)14-9(5)2-8(7)12/h1-2,4,14H.
What are the key properties of 5,6-dichloro-3-formyl-1H-indole-2-carbonitrile?
5,6-dichloro-3-formyl-1H-indole-2-carbonitrile has a molecular weight of 239.06 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-formyl-1H-indole-2-carbonitrile is sourced from PubChem (CID 135008410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).