2-[4-(2-chloroethenyl)cyclohexyl]-5-methylpyridine

C14H18ClN — CID 54260591

IUPAC2-[4-(2-chloroethenyl)cyclohexyl]-5-methylpyridine
SMILESCc1ccc(C2CCC(C=CCl)CC2)nc1
InChIInChI=1S/C14H18ClN/c1-11-2-7-14(16-10-11)13-5-3-12(4-6-13)8-9-15/h2,7-10,12-13H,3-6H2,1H3
InChIKeyRDFLMEMCXUPRFX-UHFFFAOYSA-N
MW235.76 g/mol
LogP4.42
Rot. Bonds2

About 2-[4-(2-chloroethenyl)cyclohexyl]-5-methylpyridine

2-[4-(2-chloroethenyl)cyclohexyl]-5-methylpyridine (PubChem CID 54260591) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 2-[4-(2-chloroethenyl)cyclohexyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[4-(2-chloroethenyl)cyclohexyl]-5-methylpyridine
PubChem CID54260591
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name2-[4-(2-chloroethenyl)cyclohexyl]-5-methylpyridine
SMILESCc1ccc(C2CCC(C=CCl)CC2)nc1
InChIInChI=1S/C14H18ClN/c1-11-2-7-14(16-10-11)13-5-3-12(4-6-13)8-9-15/h2,7-10,12-13H,3-6H2,1H3
InChIKeyRDFLMEMCXUPRFX-UHFFFAOYSA-N
XLogP4.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloroethenyl)cyclohexyl]-5-methylpyridine?
The IUPAC name of 2-[4-(2-chloroethenyl)cyclohexyl]-5-methylpyridine (CID 54260591) is 2-[4-(2-chloroethenyl)cyclohexyl]-5-methylpyridine.
What is the SMILES notation for 2-[4-(2-chloroethenyl)cyclohexyl]-5-methylpyridine?
The canonical SMILES for 2-[4-(2-chloroethenyl)cyclohexyl]-5-methylpyridine is Cc1ccc(C2CCC(C=CCl)CC2)nc1.
What is the InChIKey of 2-[4-(2-chloroethenyl)cyclohexyl]-5-methylpyridine?
The InChIKey is RDFLMEMCXUPRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c1-11-2-7-14(16-10-11)13-5-3-12(4-6-13)8-9-15/h2,7-10,12-13H,3-6H2,1H3.
What are the key properties of 2-[4-(2-chloroethenyl)cyclohexyl]-5-methylpyridine?
2-[4-(2-chloroethenyl)cyclohexyl]-5-methylpyridine has a molecular weight of 235.76 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloroethenyl)cyclohexyl]-5-methylpyridine is sourced from PubChem (CID 54260591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).