2-ethenyl-6-(2-ethyl-4-methylcyclohepta-1,4,6-trien-1-yl)pyridine

C17H19N — CID 145217240

IUPAC2-ethenyl-6-(2-ethyl-4-methylcyclohepta-1,4,6-trien-1-yl)pyridine
SMILESC=Cc1cccc(C2=C(CC)CC(C)=CC=C2)n1
InChIInChI=1S/C17H19N/c1-4-14-12-13(3)8-6-10-16(14)17-11-7-9-15(5-2)18-17/h5-11H,2,4,12H2,1,3H3
InChIKeyDNTKADGPNKQXDA-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.79
Rot. Bonds3

About 2-ethenyl-6-(2-ethyl-4-methylcyclohepta-1,4,6-trien-1-yl)pyridine

2-ethenyl-6-(2-ethyl-4-methylcyclohepta-1,4,6-trien-1-yl)pyridine (PubChem CID 145217240) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-ethenyl-6-(2-ethyl-4-methylcyclohepta-1,4,6-trien-1-yl)pyridine.

Molecular Properties

Compound Name2-ethenyl-6-(2-ethyl-4-methylcyclohepta-1,4,6-trien-1-yl)pyridine
PubChem CID145217240
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name2-ethenyl-6-(2-ethyl-4-methylcyclohepta-1,4,6-trien-1-yl)pyridine
SMILESC=Cc1cccc(C2=C(CC)CC(C)=CC=C2)n1
InChIInChI=1S/C17H19N/c1-4-14-12-13(3)8-6-10-16(14)17-11-7-9-15(5-2)18-17/h5-11H,2,4,12H2,1,3H3
InChIKeyDNTKADGPNKQXDA-UHFFFAOYSA-N
XLogP4.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-Lutidine
CID 7937
2-Propylpyridine
CID 69320
2,4,6-Trimethylpyridine
CID 7953
2-Pentylpyridine
CID 16800
Mpep
CID 3025961
2-Butylpyridine
CID 78750
Sib 1893
CID 5311432
2,3,6-Trimethylpyridine
CID 15100
2-Hexylpyridine
CID 70797
6,6'-Bi-2-picoline
CID 20445
5-Hexyl-2-methyl pyridine
CID 522401
6-Ethyl-2-picoline
CID 14287

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-(2-ethyl-4-methylcyclohepta-1,4,6-trien-1-yl)pyridine?
The IUPAC name of 2-ethenyl-6-(2-ethyl-4-methylcyclohepta-1,4,6-trien-1-yl)pyridine (CID 145217240) is 2-ethenyl-6-(2-ethyl-4-methylcyclohepta-1,4,6-trien-1-yl)pyridine.
What is the SMILES notation for 2-ethenyl-6-(2-ethyl-4-methylcyclohepta-1,4,6-trien-1-yl)pyridine?
The canonical SMILES for 2-ethenyl-6-(2-ethyl-4-methylcyclohepta-1,4,6-trien-1-yl)pyridine is C=Cc1cccc(C2=C(CC)CC(C)=CC=C2)n1.
What is the InChIKey of 2-ethenyl-6-(2-ethyl-4-methylcyclohepta-1,4,6-trien-1-yl)pyridine?
The InChIKey is DNTKADGPNKQXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-4-14-12-13(3)8-6-10-16(14)17-11-7-9-15(5-2)18-17/h5-11H,2,4,12H2,1,3H3.
What are the key properties of 2-ethenyl-6-(2-ethyl-4-methylcyclohepta-1,4,6-trien-1-yl)pyridine?
2-ethenyl-6-(2-ethyl-4-methylcyclohepta-1,4,6-trien-1-yl)pyridine has a molecular weight of 237.35 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-(2-ethyl-4-methylcyclohepta-1,4,6-trien-1-yl)pyridine is sourced from PubChem (CID 145217240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).