4-[2-(2-chloro-4-methylphenyl)ethenyl]pyridine

C14H12ClN — CID 176726563

IUPAC4-[2-(2-chloro-4-methylphenyl)ethenyl]pyridine
SMILESCc1ccc(C=Cc2ccncc2)c(Cl)c1
InChIInChI=1S/C14H12ClN/c1-11-2-4-13(14(15)10-11)5-3-12-6-8-16-9-7-12/h2-10H,1H3
InChIKeyRUYTVFIRBCRBAG-UHFFFAOYSA-N
MW229.71 g/mol
LogP4.21
Rot. Bonds2

About 4-[2-(2-chloro-4-methylphenyl)ethenyl]pyridine

4-[2-(2-chloro-4-methylphenyl)ethenyl]pyridine (PubChem CID 176726563) has the molecular formula C14H12ClN and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-[2-(2-chloro-4-methylphenyl)ethenyl]pyridine.

Molecular Properties

Compound Name4-[2-(2-chloro-4-methylphenyl)ethenyl]pyridine
PubChem CID176726563
Molecular FormulaC14H12ClN
Molecular Weight229.71 g/mol
Exact Mass229.07
IUPAC Name4-[2-(2-chloro-4-methylphenyl)ethenyl]pyridine
SMILESCc1ccc(C=Cc2ccncc2)c(Cl)c1
InChIInChI=1S/C14H12ClN/c1-11-2-4-13(14(15)10-11)5-3-12-6-8-16-9-7-12/h2-10H,1H3
InChIKeyRUYTVFIRBCRBAG-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-4-methylphenyl)ethenyl]pyridine?
The IUPAC name of 4-[2-(2-chloro-4-methylphenyl)ethenyl]pyridine (CID 176726563) is 4-[2-(2-chloro-4-methylphenyl)ethenyl]pyridine.
What is the SMILES notation for 4-[2-(2-chloro-4-methylphenyl)ethenyl]pyridine?
The canonical SMILES for 4-[2-(2-chloro-4-methylphenyl)ethenyl]pyridine is Cc1ccc(C=Cc2ccncc2)c(Cl)c1.
What is the InChIKey of 4-[2-(2-chloro-4-methylphenyl)ethenyl]pyridine?
The InChIKey is RUYTVFIRBCRBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN/c1-11-2-4-13(14(15)10-11)5-3-12-6-8-16-9-7-12/h2-10H,1H3.
What are the key properties of 4-[2-(2-chloro-4-methylphenyl)ethenyl]pyridine?
4-[2-(2-chloro-4-methylphenyl)ethenyl]pyridine has a molecular weight of 229.71 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-4-methylphenyl)ethenyl]pyridine is sourced from PubChem (CID 176726563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).