3-(1,2-dihydroacenaphthylen-3-yl)pyridine

C17H13N — CID 11586681

IUPAC3-(1,2-dihydroacenaphthylen-3-yl)pyridine
SMILESc1cncc(-c2ccc3cccc4c3c2CC4)c1
InChIInChI=1S/C17H13N/c1-3-12-6-8-15(14-5-2-10-18-11-14)16-9-7-13(4-1)17(12)16/h1-6,8,10-11H,7,9H2
InChIKeyCKORXOPHZBFEPV-UHFFFAOYSA-N
MW231.30 g/mol
LogP4.00
Rot. Bonds1

About 3-(1,2-dihydroacenaphthylen-3-yl)pyridine

3-(1,2-dihydroacenaphthylen-3-yl)pyridine (PubChem CID 11586681) has the molecular formula C17H13N and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(1,2-dihydroacenaphthylen-3-yl)pyridine.

Molecular Properties

Compound Name3-(1,2-dihydroacenaphthylen-3-yl)pyridine
PubChem CID11586681
Molecular FormulaC17H13N
Molecular Weight231.30 g/mol
Exact Mass231.10
IUPAC Name3-(1,2-dihydroacenaphthylen-3-yl)pyridine
SMILESc1cncc(-c2ccc3cccc4c3c2CC4)c1
InChIInChI=1S/C17H13N/c1-3-12-6-8-15(14-5-2-10-18-11-14)16-9-7-13(4-1)17(12)16/h1-6,8,10-11H,7,9H2
InChIKeyCKORXOPHZBFEPV-UHFFFAOYSA-N
XLogP4.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dihydroacenaphthylen-3-yl)pyridine?
The IUPAC name of 3-(1,2-dihydroacenaphthylen-3-yl)pyridine (CID 11586681) is 3-(1,2-dihydroacenaphthylen-3-yl)pyridine.
What is the SMILES notation for 3-(1,2-dihydroacenaphthylen-3-yl)pyridine?
The canonical SMILES for 3-(1,2-dihydroacenaphthylen-3-yl)pyridine is c1cncc(-c2ccc3cccc4c3c2CC4)c1.
What is the InChIKey of 3-(1,2-dihydroacenaphthylen-3-yl)pyridine?
The InChIKey is CKORXOPHZBFEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N/c1-3-12-6-8-15(14-5-2-10-18-11-14)16-9-7-13(4-1)17(12)16/h1-6,8,10-11H,7,9H2.
What are the key properties of 3-(1,2-dihydroacenaphthylen-3-yl)pyridine?
3-(1,2-dihydroacenaphthylen-3-yl)pyridine has a molecular weight of 231.30 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dihydroacenaphthylen-3-yl)pyridine is sourced from PubChem (CID 11586681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).