4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine;hydrochloride

C15H16ClNO2 — CID 5338423

IUPAC4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine;hydrochloride
SMILESCOc1cccc(/C=C/c2ccncc2)c1OC.Cl
InChIInChI=1S/C15H15NO2.ClH/c1-17-14-5-3-4-13(15(14)18-2)7-6-12-8-10-16-11-9-12;/h3-11H,1-2H3;1H/b7-6+;
InChIKeyGRIFLPWVNPSMPW-UHDJGPCESA-N
MW277.75 g/mol
LogP3.69
Rot. Bonds4

About 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine;hydrochloride

4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine;hydrochloride (PubChem CID 5338423) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine;hydrochloride.

Molecular Properties

Compound Name4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine;hydrochloride
PubChem CID5338423
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine;hydrochloride
SMILESCOc1cccc(/C=C/c2ccncc2)c1OC.Cl
InChIInChI=1S/C15H15NO2.ClH/c1-17-14-5-3-4-13(15(14)18-2)7-6-12-8-10-16-11-9-12;/h3-11H,1-2H3;1H/b7-6+;
InChIKeyGRIFLPWVNPSMPW-UHDJGPCESA-N
XLogP3.69
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine;hydrochloride?
The IUPAC name of 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine;hydrochloride (CID 5338423) is 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine;hydrochloride.
What is the SMILES notation for 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine;hydrochloride?
The canonical SMILES for 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine;hydrochloride is COc1cccc(/C=C/c2ccncc2)c1OC.Cl.
What is the InChIKey of 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine;hydrochloride?
The InChIKey is GRIFLPWVNPSMPW-UHDJGPCESA-N. The full InChI is InChI=1S/C15H15NO2.ClH/c1-17-14-5-3-4-13(15(14)18-2)7-6-12-8-10-16-11-9-12;/h3-11H,1-2H3;1H/b7-6+;.
What are the key properties of 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine;hydrochloride?
4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine;hydrochloride has a molecular weight of 277.75 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine;hydrochloride is sourced from PubChem (CID 5338423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).