2-cyclohexa-1,3-dien-1-yl-6-pyridin-2-ylpyridine

C16H14N2 — CID 143485808

IUPAC2-cyclohexa-1,3-dien-1-yl-6-pyridin-2-ylpyridine
SMILESC1=CCCC(c2cccc(-c3ccccn3)n2)=C1
InChIInChI=1S/C16H14N2/c1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15/h1-2,4-7,9-12H,3,8H2
InChIKeyDFHQZKQSXWEGLT-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.88
Rot. Bonds2

About 2-cyclohexa-1,3-dien-1-yl-6-pyridin-2-ylpyridine

2-cyclohexa-1,3-dien-1-yl-6-pyridin-2-ylpyridine (PubChem CID 143485808) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-6-pyridin-2-ylpyridine
PubChem CID143485808
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name2-cyclohexa-1,3-dien-1-yl-6-pyridin-2-ylpyridine
SMILESC1=CCCC(c2cccc(-c3ccccn3)n2)=C1
InChIInChI=1S/C16H14N2/c1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15/h1-2,4-7,9-12H,3,8H2
InChIKeyDFHQZKQSXWEGLT-UHFFFAOYSA-N
XLogP3.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexa-1,3-dien-1-ylpyridine;ethane
CID 177335848
2-[3-cyclohexa-1,3-dien-1-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4-phenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 166649509
2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide
CID 58672256
2,6-dipyridin-2-ylpyridine;trichlorovanadium
CID 20784145
(1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine
CID 11067258
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate
CID 138455536
2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)
CID 161405876
manganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate
CID 11061040
iridium(3+);2-phenyl-6-pyridin-2-ylpyridine
CID 159332179
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-6-pyridin-2-ylpyridine?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-6-pyridin-2-ylpyridine (CID 143485808) is 2-cyclohexa-1,3-dien-1-yl-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-6-pyridin-2-ylpyridine is C1=CCCC(c2cccc(-c3ccccn3)n2)=C1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-6-pyridin-2-ylpyridine?
The InChIKey is DFHQZKQSXWEGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15/h1-2,4-7,9-12H,3,8H2.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-6-pyridin-2-ylpyridine?
2-cyclohexa-1,3-dien-1-yl-6-pyridin-2-ylpyridine has a molecular weight of 234.30 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-6-pyridin-2-ylpyridine is sourced from PubChem (CID 143485808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).