2-cyclohexa-1,5-dien-1-yl-6-(pyridin-2-ylmethyl)pyridine

C17H16N2 — CID 59399589

IUPAC2-cyclohexa-1,5-dien-1-yl-6-(pyridin-2-ylmethyl)pyridine
SMILESC1=CC(c2cccc(Cc3ccccn3)n2)=CCC1
InChIInChI=1S/C17H16N2/c1-2-7-14(8-3-1)17-11-6-10-16(19-17)13-15-9-4-5-12-18-15/h2,4-12H,1,3,13H2
InChIKeyNLKJLNKWNGQFSF-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.80
Rot. Bonds3

About 2-cyclohexa-1,5-dien-1-yl-6-(pyridin-2-ylmethyl)pyridine

2-cyclohexa-1,5-dien-1-yl-6-(pyridin-2-ylmethyl)pyridine (PubChem CID 59399589) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-6-(pyridin-2-ylmethyl)pyridine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-6-(pyridin-2-ylmethyl)pyridine
PubChem CID59399589
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name2-cyclohexa-1,5-dien-1-yl-6-(pyridin-2-ylmethyl)pyridine
SMILESC1=CC(c2cccc(Cc3ccccn3)n2)=CCC1
InChIInChI=1S/C17H16N2/c1-2-7-14(8-3-1)17-11-6-10-16(19-17)13-15-9-4-5-12-18-15/h2,4-12H,1,3,13H2
InChIKeyNLKJLNKWNGQFSF-UHFFFAOYSA-N
XLogP3.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexa-1,5-dien-1-ylquinoline
CID 135198971
2-cyclohexa-1,5-dien-1-ylpyrimidine
CID 19608834
2-(2,4-difluorophenyl)-6-(pyridin-2-ylmethyl)pyridine
CID 158927077
2-(cyclopenta-1,4-dien-1-ylmethyl)pyridine
CID 22726371
2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine
CID 59685716
2-pyridin-2-yl-6-(pyridin-4-ylmethyl)pyridine
CID 166974134
N-[[6-[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 91221880
3-(3-cyanophenyl)-5-[6-(pyridin-2-ylmethyl)-2-pyridinyl]benzonitrile
CID 58004350
1-(3-cyclohexa-1,5-dien-1-yl-5-pyridin-2-ylphenyl)ethanone
CID 163743878
(1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine
CID 11067258
5-cyclohexa-1,5-dien-1-yl-2-(2-pyridin-2-ylethyl)pentanoic acid
CID 143824375
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-6-(pyridin-2-ylmethyl)pyridine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-6-(pyridin-2-ylmethyl)pyridine (CID 59399589) is 2-cyclohexa-1,5-dien-1-yl-6-(pyridin-2-ylmethyl)pyridine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-6-(pyridin-2-ylmethyl)pyridine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-6-(pyridin-2-ylmethyl)pyridine is C1=CC(c2cccc(Cc3ccccn3)n2)=CCC1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-6-(pyridin-2-ylmethyl)pyridine?
The InChIKey is NLKJLNKWNGQFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-2-7-14(8-3-1)17-11-6-10-16(19-17)13-15-9-4-5-12-18-15/h2,4-12H,1,3,13H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-6-(pyridin-2-ylmethyl)pyridine?
2-cyclohexa-1,5-dien-1-yl-6-(pyridin-2-ylmethyl)pyridine has a molecular weight of 248.33 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-6-(pyridin-2-ylmethyl)pyridine is sourced from PubChem (CID 59399589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).