2-methyl-4-(6-methylcyclohexa-2,4-dien-1-yl)pyridine

C13H15N — CID 146228482

IUPAC2-methyl-4-(6-methylcyclohexa-2,4-dien-1-yl)pyridine
SMILESCc1cc(C2C=CC=CC2C)ccn1
InChIInChI=1S/C13H15N/c1-10-5-3-4-6-13(10)12-7-8-14-11(2)9-12/h3-10,13H,1-2H3
InChIKeyOWNVDMYPCZYTMW-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.24
Rot. Bonds1

About 2-methyl-4-(6-methylcyclohexa-2,4-dien-1-yl)pyridine

2-methyl-4-(6-methylcyclohexa-2,4-dien-1-yl)pyridine (PubChem CID 146228482) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-methyl-4-(6-methylcyclohexa-2,4-dien-1-yl)pyridine.

Molecular Properties

Compound Name2-methyl-4-(6-methylcyclohexa-2,4-dien-1-yl)pyridine
PubChem CID146228482
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name2-methyl-4-(6-methylcyclohexa-2,4-dien-1-yl)pyridine
SMILESCc1cc(C2C=CC=CC2C)ccn1
InChIInChI=1S/C13H15N/c1-10-5-3-4-6-13(10)12-7-8-14-11(2)9-12/h3-10,13H,1-2H3
InChIKeyOWNVDMYPCZYTMW-UHFFFAOYSA-N
XLogP3.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(6-methylcyclohexa-2,4-dien-1-yl)pyridine?
The IUPAC name of 2-methyl-4-(6-methylcyclohexa-2,4-dien-1-yl)pyridine (CID 146228482) is 2-methyl-4-(6-methylcyclohexa-2,4-dien-1-yl)pyridine.
What is the SMILES notation for 2-methyl-4-(6-methylcyclohexa-2,4-dien-1-yl)pyridine?
The canonical SMILES for 2-methyl-4-(6-methylcyclohexa-2,4-dien-1-yl)pyridine is Cc1cc(C2C=CC=CC2C)ccn1.
What is the InChIKey of 2-methyl-4-(6-methylcyclohexa-2,4-dien-1-yl)pyridine?
The InChIKey is OWNVDMYPCZYTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-10-5-3-4-6-13(10)12-7-8-14-11(2)9-12/h3-10,13H,1-2H3.
What are the key properties of 2-methyl-4-(6-methylcyclohexa-2,4-dien-1-yl)pyridine?
2-methyl-4-(6-methylcyclohexa-2,4-dien-1-yl)pyridine has a molecular weight of 185.27 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(6-methylcyclohexa-2,4-dien-1-yl)pyridine is sourced from PubChem (CID 146228482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).