3-azulen-6-ylpyridine

C15H11N — CID 86232079

IUPAC3-azulen-6-ylpyridine
SMILESc1cc2ccc(-c3cccnc3)ccc-2c1
InChIInChI=1S/C15H11N/c1-3-12-6-8-14(9-7-13(12)4-1)15-5-2-10-16-11-15/h1-11H
InChIKeyBSFKETITMPEEJH-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.85
Rot. Bonds1

About 3-azulen-6-ylpyridine

3-azulen-6-ylpyridine (PubChem CID 86232079) has the molecular formula C15H11N and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-azulen-6-ylpyridine.

Molecular Properties

Compound Name3-azulen-6-ylpyridine
PubChem CID86232079
Molecular FormulaC15H11N
Molecular Weight205.26 g/mol
Exact Mass205.09
IUPAC Name3-azulen-6-ylpyridine
SMILESc1cc2ccc(-c3cccnc3)ccc-2c1
InChIInChI=1S/C15H11N/c1-3-12-6-8-14(9-7-13(12)4-1)15-5-2-10-16-11-15/h1-11H
InChIKeyBSFKETITMPEEJH-UHFFFAOYSA-N
XLogP3.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-azulen-6-ylpyridine?
The IUPAC name of 3-azulen-6-ylpyridine (CID 86232079) is 3-azulen-6-ylpyridine.
What is the SMILES notation for 3-azulen-6-ylpyridine?
The canonical SMILES for 3-azulen-6-ylpyridine is c1cc2ccc(-c3cccnc3)ccc-2c1.
What is the InChIKey of 3-azulen-6-ylpyridine?
The InChIKey is BSFKETITMPEEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N/c1-3-12-6-8-14(9-7-13(12)4-1)15-5-2-10-16-11-15/h1-11H.
What are the key properties of 3-azulen-6-ylpyridine?
3-azulen-6-ylpyridine has a molecular weight of 205.26 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azulen-6-ylpyridine is sourced from PubChem (CID 86232079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).