3-ethenyl-1-methyl-2H-pyridine;hydrochloride

C8H12ClN — CID 70397234

IUPAC3-ethenyl-1-methyl-2H-pyridine;hydrochloride
SMILESC=CC1=CC=CN(C)C1.Cl
InChIInChI=1S/C8H11N.ClH/c1-3-8-5-4-6-9(2)7-8;/h3-6H,1,7H2,2H3;1H
InChIKeyPFAUHYSXCUOKMT-UHFFFAOYSA-N
MW157.64 g/mol
LogP1.98
Rot. Bonds1

About 3-ethenyl-1-methyl-2H-pyridine;hydrochloride

3-ethenyl-1-methyl-2H-pyridine;hydrochloride (PubChem CID 70397234) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is 3-ethenyl-1-methyl-2H-pyridine;hydrochloride.

Molecular Properties

Compound Name3-ethenyl-1-methyl-2H-pyridine;hydrochloride
PubChem CID70397234
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Name3-ethenyl-1-methyl-2H-pyridine;hydrochloride
SMILESC=CC1=CC=CN(C)C1.Cl
InChIInChI=1S/C8H11N.ClH/c1-3-8-5-4-6-9(2)7-8;/h3-6H,1,7H2,2H3;1H
InChIKeyPFAUHYSXCUOKMT-UHFFFAOYSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-methyl-2H-pyridine;hydrochloride?
The IUPAC name of 3-ethenyl-1-methyl-2H-pyridine;hydrochloride (CID 70397234) is 3-ethenyl-1-methyl-2H-pyridine;hydrochloride.
What is the SMILES notation for 3-ethenyl-1-methyl-2H-pyridine;hydrochloride?
The canonical SMILES for 3-ethenyl-1-methyl-2H-pyridine;hydrochloride is C=CC1=CC=CN(C)C1.Cl.
What is the InChIKey of 3-ethenyl-1-methyl-2H-pyridine;hydrochloride?
The InChIKey is PFAUHYSXCUOKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.ClH/c1-3-8-5-4-6-9(2)7-8;/h3-6H,1,7H2,2H3;1H.
What are the key properties of 3-ethenyl-1-methyl-2H-pyridine;hydrochloride?
3-ethenyl-1-methyl-2H-pyridine;hydrochloride has a molecular weight of 157.64 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-methyl-2H-pyridine;hydrochloride is sourced from PubChem (CID 70397234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).