3-methyl-5-(6-methylcyclohexa-1,3-dien-1-yl)pyridine

C13H15N — CID 143707425

IUPAC3-methyl-5-(6-methylcyclohexa-1,3-dien-1-yl)pyridine
SMILESCc1cncc(C2=CC=CCC2C)c1
InChIInChI=1S/C13H15N/c1-10-7-12(9-14-8-10)13-6-4-3-5-11(13)2/h3-4,6-9,11H,5H2,1-2H3
InChIKeyXMQHUYDLQXQEMA-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.37
Rot. Bonds1

About 3-methyl-5-(6-methylcyclohexa-1,3-dien-1-yl)pyridine

3-methyl-5-(6-methylcyclohexa-1,3-dien-1-yl)pyridine (PubChem CID 143707425) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-methyl-5-(6-methylcyclohexa-1,3-dien-1-yl)pyridine.

Molecular Properties

Compound Name3-methyl-5-(6-methylcyclohexa-1,3-dien-1-yl)pyridine
PubChem CID143707425
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name3-methyl-5-(6-methylcyclohexa-1,3-dien-1-yl)pyridine
SMILESCc1cncc(C2=CC=CCC2C)c1
InChIInChI=1S/C13H15N/c1-10-7-12(9-14-8-10)13-6-4-3-5-11(13)2/h3-4,6-9,11H,5H2,1-2H3
InChIKeyXMQHUYDLQXQEMA-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-2-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-5-phenylpyridine
CID 138646102
4-methyl-6-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-2-phenylpyrimidine
CID 156510300
2-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 154932801
3-methyl-5-(2-thiabicyclo[3.1.0]hex-3-en-4-yl)pyridine
CID 142186892
1-ethoxy-4-(6-methylcyclohexa-1,3-dien-1-yl)benzene
CID 163557331
2,4-dichloro-6-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]-1,3,5-triazine
CID 145237182
CID 174996178
CID 174996178
1-methyl-4-[(Z)-2-[5-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]benzene
CID 142012376
2-ethyl-5-(5-methyl-3-pyridinyl)-2-azabicyclo[2.2.1]hept-5-ene
CID 177350864
5-methyl-2-(6-methylcyclohexa-1,3-dien-1-yl)oxypyridine
CID 139565491
3-(2,6-dimethylphenyl)-5-methylpyridine
CID 146182914
3-methyl-5-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine
CID 143453970

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(6-methylcyclohexa-1,3-dien-1-yl)pyridine?
The IUPAC name of 3-methyl-5-(6-methylcyclohexa-1,3-dien-1-yl)pyridine (CID 143707425) is 3-methyl-5-(6-methylcyclohexa-1,3-dien-1-yl)pyridine.
What is the SMILES notation for 3-methyl-5-(6-methylcyclohexa-1,3-dien-1-yl)pyridine?
The canonical SMILES for 3-methyl-5-(6-methylcyclohexa-1,3-dien-1-yl)pyridine is Cc1cncc(C2=CC=CCC2C)c1.
What is the InChIKey of 3-methyl-5-(6-methylcyclohexa-1,3-dien-1-yl)pyridine?
The InChIKey is XMQHUYDLQXQEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-10-7-12(9-14-8-10)13-6-4-3-5-11(13)2/h3-4,6-9,11H,5H2,1-2H3.
What are the key properties of 3-methyl-5-(6-methylcyclohexa-1,3-dien-1-yl)pyridine?
3-methyl-5-(6-methylcyclohexa-1,3-dien-1-yl)pyridine has a molecular weight of 185.27 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(6-methylcyclohexa-1,3-dien-1-yl)pyridine is sourced from PubChem (CID 143707425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).