2-chloro-6-ethenyl-3-methylpyridine

C8H8ClN — CID 74888813

IUPAC2-chloro-6-ethenyl-3-methylpyridine
SMILESC=Cc1ccc(C)c(Cl)n1
InChIInChI=1S/C8H8ClN/c1-3-7-5-4-6(2)8(9)10-7/h3-5H,1H2,2H3
InChIKeyVMFHSCCLVCHVPB-UHFFFAOYSA-N
MW153.61 g/mol
LogP2.69
Rot. Bonds1

About 2-chloro-6-ethenyl-3-methylpyridine

2-chloro-6-ethenyl-3-methylpyridine (PubChem CID 74888813) has the molecular formula C8H8ClN and a molecular weight of 153.61 g/mol. Its IUPAC name is 2-chloro-6-ethenyl-3-methylpyridine.

Molecular Properties

Compound Name2-chloro-6-ethenyl-3-methylpyridine
PubChem CID74888813
Molecular FormulaC8H8ClN
Molecular Weight153.61 g/mol
Exact Mass153.03
IUPAC Name2-chloro-6-ethenyl-3-methylpyridine
SMILESC=Cc1ccc(C)c(Cl)n1
InChIInChI=1S/C8H8ClN/c1-3-7-5-4-6(2)8(9)10-7/h3-5H,1H2,2H3
InChIKeyVMFHSCCLVCHVPB-UHFFFAOYSA-N
XLogP2.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethenyl-3-methylpyridine?
The IUPAC name of 2-chloro-6-ethenyl-3-methylpyridine (CID 74888813) is 2-chloro-6-ethenyl-3-methylpyridine.
What is the SMILES notation for 2-chloro-6-ethenyl-3-methylpyridine?
The canonical SMILES for 2-chloro-6-ethenyl-3-methylpyridine is C=Cc1ccc(C)c(Cl)n1.
What is the InChIKey of 2-chloro-6-ethenyl-3-methylpyridine?
The InChIKey is VMFHSCCLVCHVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN/c1-3-7-5-4-6(2)8(9)10-7/h3-5H,1H2,2H3.
What are the key properties of 2-chloro-6-ethenyl-3-methylpyridine?
2-chloro-6-ethenyl-3-methylpyridine has a molecular weight of 153.61 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethenyl-3-methylpyridine is sourced from PubChem (CID 74888813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).