2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-4-methylpyridine

C14H17N — CID 141264829

IUPAC2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-4-methylpyridine
SMILESCc1ccnc(C2(C)C=CC=CC2C)c1
InChIInChI=1S/C14H17N/c1-11-7-9-15-13(10-11)14(3)8-5-4-6-12(14)2/h4-10,12H,1-3H3
InChIKeyUEQJWSNLGAZJEX-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.41
Rot. Bonds1

About 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-4-methylpyridine

2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-4-methylpyridine (PubChem CID 141264829) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-4-methylpyridine.

Molecular Properties

Compound Name2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-4-methylpyridine
PubChem CID141264829
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-4-methylpyridine
SMILESCc1ccnc(C2(C)C=CC=CC2C)c1
InChIInChI=1S/C14H17N/c1-11-7-9-15-13(10-11)14(3)8-5-4-6-12(14)2/h4-10,12H,1-3H3
InChIKeyUEQJWSNLGAZJEX-UHFFFAOYSA-N
XLogP3.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-4-methylpyridine?
The IUPAC name of 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-4-methylpyridine (CID 141264829) is 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-4-methylpyridine.
What is the SMILES notation for 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-4-methylpyridine?
The canonical SMILES for 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-4-methylpyridine is Cc1ccnc(C2(C)C=CC=CC2C)c1.
What is the InChIKey of 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-4-methylpyridine?
The InChIKey is UEQJWSNLGAZJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-11-7-9-15-13(10-11)14(3)8-5-4-6-12(14)2/h4-10,12H,1-3H3.
What are the key properties of 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-4-methylpyridine?
2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-4-methylpyridine has a molecular weight of 199.30 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-4-methylpyridine is sourced from PubChem (CID 141264829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).