6-chloroindolizine-1-carbonitrile

C9H5ClN2 — CID 51356371

IUPAC6-chloroindolizine-1-carbonitrile
SMILESN#Cc1ccn2cc(Cl)ccc12
InChIInChI=1S/C9H5ClN2/c10-8-1-2-9-7(5-11)3-4-12(9)6-8/h1-4,6H
InChIKeyINIPTMHVGODLBV-UHFFFAOYSA-N
MW176.61 g/mol
LogP2.46
Rot. Bonds

About 6-chloroindolizine-1-carbonitrile

6-chloroindolizine-1-carbonitrile (PubChem CID 51356371) has the molecular formula C9H5ClN2 and a molecular weight of 176.61 g/mol. Its IUPAC name is 6-chloroindolizine-1-carbonitrile.

Molecular Properties

Compound Name6-chloroindolizine-1-carbonitrile
PubChem CID51356371
Molecular FormulaC9H5ClN2
Molecular Weight176.61 g/mol
Exact Mass176.01
IUPAC Name6-chloroindolizine-1-carbonitrile
SMILESN#Cc1ccn2cc(Cl)ccc12
InChIInChI=1S/C9H5ClN2/c10-8-1-2-9-7(5-11)3-4-12(9)6-8/h1-4,6H
InChIKeyINIPTMHVGODLBV-UHFFFAOYSA-N
XLogP2.46
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.61
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloroindolizine-1-carbonitrile?
The IUPAC name of 6-chloroindolizine-1-carbonitrile (CID 51356371) is 6-chloroindolizine-1-carbonitrile.
What is the SMILES notation for 6-chloroindolizine-1-carbonitrile?
The canonical SMILES for 6-chloroindolizine-1-carbonitrile is N#Cc1ccn2cc(Cl)ccc12.
What is the InChIKey of 6-chloroindolizine-1-carbonitrile?
The InChIKey is INIPTMHVGODLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2/c10-8-1-2-9-7(5-11)3-4-12(9)6-8/h1-4,6H.
What are the key properties of 6-chloroindolizine-1-carbonitrile?
6-chloroindolizine-1-carbonitrile has a molecular weight of 176.61 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloroindolizine-1-carbonitrile is sourced from PubChem (CID 51356371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).