4-cyclohexa-1,5-dien-1-yl-2-(3-methylphenyl)pyridine

C18H17N — CID 144573791

IUPAC4-cyclohexa-1,5-dien-1-yl-2-(3-methylphenyl)pyridine
SMILESCc1cccc(-c2cc(C3=CCCC=C3)ccn2)c1
InChIInChI=1S/C18H17N/c1-14-6-5-9-17(12-14)18-13-16(10-11-19-18)15-7-3-2-4-8-15/h3,5-13H,2,4H2,1H3
InChIKeyUOKQGMXQTMVHDU-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.79
Rot. Bonds2

About 4-cyclohexa-1,5-dien-1-yl-2-(3-methylphenyl)pyridine

4-cyclohexa-1,5-dien-1-yl-2-(3-methylphenyl)pyridine (PubChem CID 144573791) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-2-(3-methylphenyl)pyridine.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-2-(3-methylphenyl)pyridine
PubChem CID144573791
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name4-cyclohexa-1,5-dien-1-yl-2-(3-methylphenyl)pyridine
SMILESCc1cccc(-c2cc(C3=CCCC=C3)ccn2)c1
InChIInChI=1S/C18H17N/c1-14-6-5-9-17(12-14)18-13-16(10-11-19-18)15-7-3-2-4-8-15/h3,5-13H,2,4H2,1H3
InChIKeyUOKQGMXQTMVHDU-UHFFFAOYSA-N
XLogP4.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine
CID 138636514
4-(3-methylphenyl)-2-(4-methylphenyl)pyridine
CID 118345294
1-(3-cyclohexa-1,5-dien-1-ylphenyl)ethanone
CID 126694355
1-cyclopenta-1,4-dien-1-yl-3-methylbenzene;ethane;2-(4-methylphenyl)pyrazine
CID 143530069
4-ethynyl-2-(3-methylphenyl)pyridine
CID 171365551
2-(3-methylphenyl)pyridine-4-carbonitrile
CID 102306874
1-(3-cyclohexa-1,5-dien-1-yl-5-pyridin-2-ylphenyl)ethanone
CID 163743878
6-(3-methylphenyl)-3H-azepine
CID 143731473
1-cyclohexa-1,5-dien-1-yl-3-(2-phenylphenyl)benzene
CID 145066213
1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-hexa-1,3,5-trien-2-yl]benzene
CID 143808839
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
N-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-N,3-dimethylaniline
CID 143685243

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-2-(3-methylphenyl)pyridine?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-2-(3-methylphenyl)pyridine (CID 144573791) is 4-cyclohexa-1,5-dien-1-yl-2-(3-methylphenyl)pyridine.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-2-(3-methylphenyl)pyridine?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-2-(3-methylphenyl)pyridine is Cc1cccc(-c2cc(C3=CCCC=C3)ccn2)c1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-2-(3-methylphenyl)pyridine?
The InChIKey is UOKQGMXQTMVHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-14-6-5-9-17(12-14)18-13-16(10-11-19-18)15-7-3-2-4-8-15/h3,5-13H,2,4H2,1H3.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-2-(3-methylphenyl)pyridine?
4-cyclohexa-1,5-dien-1-yl-2-(3-methylphenyl)pyridine has a molecular weight of 247.34 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-2-(3-methylphenyl)pyridine is sourced from PubChem (CID 144573791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).