2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-ethylpyridine

C15H20ClN — CID 18656278

IUPAC2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-ethylpyridine
SMILESCCc1ccc(C2CCC(/C=C/Cl)CC2)nc1
InChIInChI=1S/C15H20ClN/c1-2-12-5-8-15(17-11-12)14-6-3-13(4-7-14)9-10-16/h5,8-11,13-14H,2-4,6-7H2,1H3/b10-9+
InChIKeyUTZFWGPFXNYIOJ-MDZDMXLPSA-N
MW249.78 g/mol
LogP4.67
Rot. Bonds3

About 2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-ethylpyridine

2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-ethylpyridine (PubChem CID 18656278) has the molecular formula C15H20ClN and a molecular weight of 249.78 g/mol. Its IUPAC name is 2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-ethylpyridine.

Molecular Properties

Compound Name2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-ethylpyridine
PubChem CID18656278
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC Name2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-ethylpyridine
SMILESCCc1ccc(C2CCC(/C=C/Cl)CC2)nc1
InChIInChI=1S/C15H20ClN/c1-2-12-5-8-15(17-11-12)14-6-3-13(4-7-14)9-10-16/h5,8-11,13-14H,2-4,6-7H2,1H3/b10-9+
InChIKeyUTZFWGPFXNYIOJ-MDZDMXLPSA-N
XLogP4.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-ethylpyridine?
The IUPAC name of 2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-ethylpyridine (CID 18656278) is 2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-ethylpyridine.
What is the SMILES notation for 2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-ethylpyridine?
The canonical SMILES for 2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-ethylpyridine is CCc1ccc(C2CCC(/C=C/Cl)CC2)nc1.
What is the InChIKey of 2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-ethylpyridine?
The InChIKey is UTZFWGPFXNYIOJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H20ClN/c1-2-12-5-8-15(17-11-12)14-6-3-13(4-7-14)9-10-16/h5,8-11,13-14H,2-4,6-7H2,1H3/b10-9+.
What are the key properties of 2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-ethylpyridine?
2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-ethylpyridine has a molecular weight of 249.78 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-ethylpyridine is sourced from PubChem (CID 18656278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).