5-ethenyl-3-ethyl-2-methylpyridine;methane;pyridine

C16H22N2 — CID 174840811

IUPAC5-ethenyl-3-ethyl-2-methylpyridine;methane;pyridine
SMILESC.C=Cc1cnc(C)c(CC)c1.c1ccncc1
InChIInChI=1S/C10H13N.C5H5N.CH4/c1-4-9-6-10(5-2)8(3)11-7-9;1-2-4-6-5-3-1;/h4,6-7H,1,5H2,2-3H3;1-5H;1H4
InChIKeyWHCGKXDVRWSWKB-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.31
Rot. Bonds2

About 5-ethenyl-3-ethyl-2-methylpyridine;methane;pyridine

5-ethenyl-3-ethyl-2-methylpyridine;methane;pyridine (PubChem CID 174840811) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 5-ethenyl-3-ethyl-2-methylpyridine;methane;pyridine.

Molecular Properties

Compound Name5-ethenyl-3-ethyl-2-methylpyridine;methane;pyridine
PubChem CID174840811
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name5-ethenyl-3-ethyl-2-methylpyridine;methane;pyridine
SMILESC.C=Cc1cnc(C)c(CC)c1.c1ccncc1
InChIInChI=1S/C10H13N.C5H5N.CH4/c1-4-9-6-10(5-2)8(3)11-7-9;1-2-4-6-5-3-1;/h4,6-7H,1,5H2,2-3H3;1-5H;1H4
InChIKeyWHCGKXDVRWSWKB-UHFFFAOYSA-N
XLogP4.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-ethyl-2-methylpyridine;methane;pyridine?
The IUPAC name of 5-ethenyl-3-ethyl-2-methylpyridine;methane;pyridine (CID 174840811) is 5-ethenyl-3-ethyl-2-methylpyridine;methane;pyridine.
What is the SMILES notation for 5-ethenyl-3-ethyl-2-methylpyridine;methane;pyridine?
The canonical SMILES for 5-ethenyl-3-ethyl-2-methylpyridine;methane;pyridine is C.C=Cc1cnc(C)c(CC)c1.c1ccncc1.
What is the InChIKey of 5-ethenyl-3-ethyl-2-methylpyridine;methane;pyridine?
The InChIKey is WHCGKXDVRWSWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C5H5N.CH4/c1-4-9-6-10(5-2)8(3)11-7-9;1-2-4-6-5-3-1;/h4,6-7H,1,5H2,2-3H3;1-5H;1H4.
What are the key properties of 5-ethenyl-3-ethyl-2-methylpyridine;methane;pyridine?
5-ethenyl-3-ethyl-2-methylpyridine;methane;pyridine has a molecular weight of 242.37 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-ethyl-2-methylpyridine;methane;pyridine is sourced from PubChem (CID 174840811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).