2-cyclohepta-1,4,6-trien-1-yl-6-methylpyridine

C13H13N — CID 123370354

IUPAC2-cyclohepta-1,4,6-trien-1-yl-6-methylpyridine
SMILESCc1cccc(C2=CCC=CC=C2)n1
InChIInChI=1S/C13H13N/c1-11-7-6-10-13(14-11)12-8-4-2-3-5-9-12/h2-4,6-10H,5H2,1H3
InChIKeyNJMIQOGQVVWLLR-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.29
Rot. Bonds1

About 2-cyclohepta-1,4,6-trien-1-yl-6-methylpyridine

2-cyclohepta-1,4,6-trien-1-yl-6-methylpyridine (PubChem CID 123370354) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-cyclohepta-1,4,6-trien-1-yl-6-methylpyridine.

Molecular Properties

Compound Name2-cyclohepta-1,4,6-trien-1-yl-6-methylpyridine
PubChem CID123370354
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name2-cyclohepta-1,4,6-trien-1-yl-6-methylpyridine
SMILESCc1cccc(C2=CCC=CC=C2)n1
InChIInChI=1S/C13H13N/c1-11-7-6-10-13(14-11)12-8-4-2-3-5-9-12/h2-4,6-10H,5H2,1H3
InChIKeyNJMIQOGQVVWLLR-UHFFFAOYSA-N
XLogP3.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohepta-1,4,6-trien-1-yl-6-methylpyridine?
The IUPAC name of 2-cyclohepta-1,4,6-trien-1-yl-6-methylpyridine (CID 123370354) is 2-cyclohepta-1,4,6-trien-1-yl-6-methylpyridine.
What is the SMILES notation for 2-cyclohepta-1,4,6-trien-1-yl-6-methylpyridine?
The canonical SMILES for 2-cyclohepta-1,4,6-trien-1-yl-6-methylpyridine is Cc1cccc(C2=CCC=CC=C2)n1.
What is the InChIKey of 2-cyclohepta-1,4,6-trien-1-yl-6-methylpyridine?
The InChIKey is NJMIQOGQVVWLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-11-7-6-10-13(14-11)12-8-4-2-3-5-9-12/h2-4,6-10H,5H2,1H3.
What are the key properties of 2-cyclohepta-1,4,6-trien-1-yl-6-methylpyridine?
2-cyclohepta-1,4,6-trien-1-yl-6-methylpyridine has a molecular weight of 183.25 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohepta-1,4,6-trien-1-yl-6-methylpyridine is sourced from PubChem (CID 123370354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).