6-chloro-4-ethenyl-1-methyl-2H-pyridine

C8H10ClN — CID 70173252

IUPAC6-chloro-4-ethenyl-1-methyl-2H-pyridine
SMILESC=CC1=CCN(C)C(Cl)=C1
InChIInChI=1S/C8H10ClN/c1-3-7-4-5-10(2)8(9)6-7/h3-4,6H,1,5H2,2H3
InChIKeyYKUYULCWJGLNMU-UHFFFAOYSA-N
MW155.63 g/mol
LogP2.12
Rot. Bonds1

About 6-chloro-4-ethenyl-1-methyl-2H-pyridine

6-chloro-4-ethenyl-1-methyl-2H-pyridine (PubChem CID 70173252) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is 6-chloro-4-ethenyl-1-methyl-2H-pyridine.

Molecular Properties

Compound Name6-chloro-4-ethenyl-1-methyl-2H-pyridine
PubChem CID70173252
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name6-chloro-4-ethenyl-1-methyl-2H-pyridine
SMILESC=CC1=CCN(C)C(Cl)=C1
InChIInChI=1S/C8H10ClN/c1-3-7-4-5-10(2)8(9)6-7/h3-4,6H,1,5H2,2H3
InChIKeyYKUYULCWJGLNMU-UHFFFAOYSA-N
XLogP2.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-ethenyl-1-methyl-2H-pyridine?
The IUPAC name of 6-chloro-4-ethenyl-1-methyl-2H-pyridine (CID 70173252) is 6-chloro-4-ethenyl-1-methyl-2H-pyridine.
What is the SMILES notation for 6-chloro-4-ethenyl-1-methyl-2H-pyridine?
The canonical SMILES for 6-chloro-4-ethenyl-1-methyl-2H-pyridine is C=CC1=CCN(C)C(Cl)=C1.
What is the InChIKey of 6-chloro-4-ethenyl-1-methyl-2H-pyridine?
The InChIKey is YKUYULCWJGLNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN/c1-3-7-4-5-10(2)8(9)6-7/h3-4,6H,1,5H2,2H3.
What are the key properties of 6-chloro-4-ethenyl-1-methyl-2H-pyridine?
6-chloro-4-ethenyl-1-methyl-2H-pyridine has a molecular weight of 155.63 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-ethenyl-1-methyl-2H-pyridine is sourced from PubChem (CID 70173252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).