4-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride

C17H14ClN — CID 6445245

IUPAC4-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride
SMILESC(=C/c1cccc2ccccc12)\c1ccncc1.Cl
InChIInChI=1S/C17H13N.ClH/c1-2-7-17-15(4-1)5-3-6-16(17)9-8-14-10-12-18-13-11-14;/h1-13H;1H/b9-8+;
InChIKeyKSAXUCRWXYNAKT-HRNDJLQDSA-N
MW267.76 g/mol
LogP4.83
Rot. Bonds2

About 4-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride

4-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride (PubChem CID 6445245) has the molecular formula C17H14ClN and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride.

Molecular Properties

Compound Name4-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride
PubChem CID6445245
Molecular FormulaC17H14ClN
Molecular Weight267.76 g/mol
Exact Mass267.08
IUPAC Name4-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride
SMILESC(=C/c1cccc2ccccc12)\c1ccncc1.Cl
InChIInChI=1S/C17H13N.ClH/c1-2-7-17-15(4-1)5-3-6-16(17)9-8-14-10-12-18-13-11-14;/h1-13H;1H/b9-8+;
InChIKeyKSAXUCRWXYNAKT-HRNDJLQDSA-N
XLogP4.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride?
The IUPAC name of 4-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride (CID 6445245) is 4-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride.
What is the SMILES notation for 4-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride?
The canonical SMILES for 4-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride is C(=C/c1cccc2ccccc12)\c1ccncc1.Cl.
What is the InChIKey of 4-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride?
The InChIKey is KSAXUCRWXYNAKT-HRNDJLQDSA-N. The full InChI is InChI=1S/C17H13N.ClH/c1-2-7-17-15(4-1)5-3-6-16(17)9-8-14-10-12-18-13-11-14;/h1-13H;1H/b9-8+;.
What are the key properties of 4-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride?
4-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride is sourced from PubChem (CID 6445245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).