3-(1,3-dipyridin-4-ylazulen-2-yl)pyridine

C25H17N3 — CID 122224358

IUPAC3-(1,3-dipyridin-4-ylazulen-2-yl)pyridine
SMILESc1ccc2c(-c3ccncc3)c(-c3cccnc3)c(-c3ccncc3)c-2cc1
InChIInChI=1S/C25H17N3/c1-2-6-21-22(7-3-1)24(19-10-15-27-16-11-19)25(20-5-4-12-28-17-20)23(21)18-8-13-26-14-9-18/h1-17H
InChIKeyQWMQZCFVJKUEBW-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.98
Rot. Bonds3

About 3-(1,3-dipyridin-4-ylazulen-2-yl)pyridine

3-(1,3-dipyridin-4-ylazulen-2-yl)pyridine (PubChem CID 122224358) has the molecular formula C25H17N3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(1,3-dipyridin-4-ylazulen-2-yl)pyridine.

Molecular Properties

Compound Name3-(1,3-dipyridin-4-ylazulen-2-yl)pyridine
PubChem CID122224358
Molecular FormulaC25H17N3
Molecular Weight359.43 g/mol
Exact Mass359.14
IUPAC Name3-(1,3-dipyridin-4-ylazulen-2-yl)pyridine
SMILESc1ccc2c(-c3ccncc3)c(-c3cccnc3)c(-c3ccncc3)c-2cc1
InChIInChI=1S/C25H17N3/c1-2-6-21-22(7-3-1)24(19-10-15-27-16-11-19)25(20-5-4-12-28-17-20)23(21)18-8-13-26-14-9-18/h1-17H
InChIKeyQWMQZCFVJKUEBW-UHFFFAOYSA-N
XLogP5.98
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoro-3-pyridin-4-ylphenyl)pyridine
CID 46316510
3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine
CID 158129947
3-phenyl-2-pyridin-3-ylpyridine
CID 140510629
3-(2-methyl-3-phenylphenyl)pyridine
CID 91046767
azane;4-phenylpyridine
CID 175775455
3-(3,5-diphenylphenyl)pyridine
CID 141411458
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin
CID 10627615
3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 67990643
5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183593
3-(2-methylphenyl)pyridine
CID 4133191
3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 51358299

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dipyridin-4-ylazulen-2-yl)pyridine?
The IUPAC name of 3-(1,3-dipyridin-4-ylazulen-2-yl)pyridine (CID 122224358) is 3-(1,3-dipyridin-4-ylazulen-2-yl)pyridine.
What is the SMILES notation for 3-(1,3-dipyridin-4-ylazulen-2-yl)pyridine?
The canonical SMILES for 3-(1,3-dipyridin-4-ylazulen-2-yl)pyridine is c1ccc2c(-c3ccncc3)c(-c3cccnc3)c(-c3ccncc3)c-2cc1.
What is the InChIKey of 3-(1,3-dipyridin-4-ylazulen-2-yl)pyridine?
The InChIKey is QWMQZCFVJKUEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3/c1-2-6-21-22(7-3-1)24(19-10-15-27-16-11-19)25(20-5-4-12-28-17-20)23(21)18-8-13-26-14-9-18/h1-17H.
What are the key properties of 3-(1,3-dipyridin-4-ylazulen-2-yl)pyridine?
3-(1,3-dipyridin-4-ylazulen-2-yl)pyridine has a molecular weight of 359.43 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dipyridin-4-ylazulen-2-yl)pyridine is sourced from PubChem (CID 122224358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).