3-(2-chloro-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile

C15H14ClN3 — CID 10945567

IUPAC3-(2-chloro-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
SMILESCc1c(C#N)c2n(c1-c1cccnc1Cl)CCCC2
InChIInChI=1S/C15H14ClN3/c1-10-12(9-17)13-6-2-3-8-19(13)14(10)11-5-4-7-18-15(11)16/h4-5,7H,2-3,6,8H2,1H3
InChIKeyWHTCJIWIEXSHDA-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.72
Rot. Bonds1

About 3-(2-chloro-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile

3-(2-chloro-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile (PubChem CID 10945567) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 3-(2-chloro-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile.

Molecular Properties

Compound Name3-(2-chloro-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
PubChem CID10945567
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name3-(2-chloro-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
SMILESCc1c(C#N)c2n(c1-c1cccnc1Cl)CCCC2
InChIInChI=1S/C15H14ClN3/c1-10-12(9-17)13-6-2-3-8-19(13)14(10)11-5-4-7-18-15(11)16/h4-5,7H,2-3,6,8H2,1H3
InChIKeyWHTCJIWIEXSHDA-UHFFFAOYSA-N
XLogP3.72
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-(2-chloro-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
The IUPAC name of 3-(2-chloro-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile (CID 10945567) is 3-(2-chloro-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile.
What is the SMILES notation for 3-(2-chloro-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
The canonical SMILES for 3-(2-chloro-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile is Cc1c(C#N)c2n(c1-c1cccnc1Cl)CCCC2.
What is the InChIKey of 3-(2-chloro-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
The InChIKey is WHTCJIWIEXSHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-10-12(9-17)13-6-2-3-8-19(13)14(10)11-5-4-7-18-15(11)16/h4-5,7H,2-3,6,8H2,1H3.
What are the key properties of 3-(2-chloro-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
3-(2-chloro-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile has a molecular weight of 271.75 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile is sourced from PubChem (CID 10945567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).