3-(2-phenylethyl)pyridine;hydrochloride

C13H14ClN — CID 71669595

IUPAC3-(2-phenylethyl)pyridine;hydrochloride
SMILESCl.c1ccc(CCc2cccnc2)cc1
InChIInChI=1S/C13H13N.ClH/c1-2-5-12(6-3-1)8-9-13-7-4-10-14-11-13;/h1-7,10-11H,8-9H2;1H
InChIKeyDUDHIDAANSSTPI-UHFFFAOYSA-N
MW219.72 g/mol
LogP3.29
Rot. Bonds3

About 3-(2-phenylethyl)pyridine;hydrochloride

3-(2-phenylethyl)pyridine;hydrochloride (PubChem CID 71669595) has the molecular formula C13H14ClN and a molecular weight of 219.72 g/mol. Its IUPAC name is 3-(2-phenylethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name3-(2-phenylethyl)pyridine;hydrochloride
PubChem CID71669595
Molecular FormulaC13H14ClN
Molecular Weight219.72 g/mol
Exact Mass219.08
IUPAC Name3-(2-phenylethyl)pyridine;hydrochloride
SMILESCl.c1ccc(CCc2cccnc2)cc1
InChIInChI=1S/C13H13N.ClH/c1-2-5-12(6-3-1)8-9-13-7-4-10-14-11-13;/h1-7,10-11H,8-9H2;1H
InChIKeyDUDHIDAANSSTPI-UHFFFAOYSA-N
XLogP3.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)pyridine;hydrochloride?
The IUPAC name of 3-(2-phenylethyl)pyridine;hydrochloride (CID 71669595) is 3-(2-phenylethyl)pyridine;hydrochloride.
What is the SMILES notation for 3-(2-phenylethyl)pyridine;hydrochloride?
The canonical SMILES for 3-(2-phenylethyl)pyridine;hydrochloride is Cl.c1ccc(CCc2cccnc2)cc1.
What is the InChIKey of 3-(2-phenylethyl)pyridine;hydrochloride?
The InChIKey is DUDHIDAANSSTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.ClH/c1-2-5-12(6-3-1)8-9-13-7-4-10-14-11-13;/h1-7,10-11H,8-9H2;1H.
What are the key properties of 3-(2-phenylethyl)pyridine;hydrochloride?
3-(2-phenylethyl)pyridine;hydrochloride has a molecular weight of 219.72 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)pyridine;hydrochloride is sourced from PubChem (CID 71669595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).