2-[(2S)-2-[2-(4-chlorophenyl)ethyl]cyclohexyl]pyridine

C19H22ClN — CID 175881889

IUPAC2-[(2S)-2-[2-(4-chlorophenyl)ethyl]cyclohexyl]pyridine
SMILESClc1ccc(CC[C@@H]2CCCCC2c2ccccn2)cc1
InChIInChI=1S/C19H22ClN/c20-17-12-9-15(10-13-17)8-11-16-5-1-2-6-18(16)19-7-3-4-14-21-19/h3-4,7,9-10,12-14,16,18H,1-2,5-6,8,11H2/t16-,18?/m0/s1
InChIKeyOTAIZXDAQAOLLY-ATNAJCNCSA-N
MW299.85 g/mol
LogP5.64
Rot. Bonds4

About 2-[(2S)-2-[2-(4-chlorophenyl)ethyl]cyclohexyl]pyridine

2-[(2S)-2-[2-(4-chlorophenyl)ethyl]cyclohexyl]pyridine (PubChem CID 175881889) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is 2-[(2S)-2-[2-(4-chlorophenyl)ethyl]cyclohexyl]pyridine.

Molecular Properties

Compound Name2-[(2S)-2-[2-(4-chlorophenyl)ethyl]cyclohexyl]pyridine
PubChem CID175881889
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC Name2-[(2S)-2-[2-(4-chlorophenyl)ethyl]cyclohexyl]pyridine
SMILESClc1ccc(CC[C@@H]2CCCCC2c2ccccn2)cc1
InChIInChI=1S/C19H22ClN/c20-17-12-9-15(10-13-17)8-11-16-5-1-2-6-18(16)19-7-3-4-14-21-19/h3-4,7,9-10,12-14,16,18H,1-2,5-6,8,11H2/t16-,18?/m0/s1
InChIKeyOTAIZXDAQAOLLY-ATNAJCNCSA-N
XLogP5.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.85
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(2S)-2-[2-(4-chlorophenyl)ethyl]cyclohexyl]pyridine 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 2-[(2S)-2-[2-(4-chlorophenyl)ethyl]cyclohexyl]pyridine?
The IUPAC name of 2-[(2S)-2-[2-(4-chlorophenyl)ethyl]cyclohexyl]pyridine (CID 175881889) is 2-[(2S)-2-[2-(4-chlorophenyl)ethyl]cyclohexyl]pyridine.
What is the SMILES notation for 2-[(2S)-2-[2-(4-chlorophenyl)ethyl]cyclohexyl]pyridine?
The canonical SMILES for 2-[(2S)-2-[2-(4-chlorophenyl)ethyl]cyclohexyl]pyridine is Clc1ccc(CC[C@@H]2CCCCC2c2ccccn2)cc1.
What is the InChIKey of 2-[(2S)-2-[2-(4-chlorophenyl)ethyl]cyclohexyl]pyridine?
The InChIKey is OTAIZXDAQAOLLY-ATNAJCNCSA-N. The full InChI is InChI=1S/C19H22ClN/c20-17-12-9-15(10-13-17)8-11-16-5-1-2-6-18(16)19-7-3-4-14-21-19/h3-4,7,9-10,12-14,16,18H,1-2,5-6,8,11H2/t16-,18?/m0/s1.
What are the key properties of 2-[(2S)-2-[2-(4-chlorophenyl)ethyl]cyclohexyl]pyridine?
2-[(2S)-2-[2-(4-chlorophenyl)ethyl]cyclohexyl]pyridine has a molecular weight of 299.85 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[2-(4-chlorophenyl)ethyl]cyclohexyl]pyridine is sourced from PubChem (CID 175881889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).