3-(1,2-dihydroacenaphthylen-5-yl)pyridine

C17H13N — CID 23644953

IUPAC3-(1,2-dihydroacenaphthylen-5-yl)pyridine
SMILESc1cncc(-c2ccc3c4c(cccc24)CC3)c1
InChIInChI=1S/C17H13N/c1-3-12-6-7-13-8-9-15(16(5-1)17(12)13)14-4-2-10-18-11-14/h1-5,8-11H,6-7H2
InChIKeyBWVFIMXEVGYZOM-UHFFFAOYSA-N
MW231.30 g/mol
LogP4.00
Rot. Bonds1

About 3-(1,2-dihydroacenaphthylen-5-yl)pyridine

3-(1,2-dihydroacenaphthylen-5-yl)pyridine (PubChem CID 23644953) has the molecular formula C17H13N and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(1,2-dihydroacenaphthylen-5-yl)pyridine.

Molecular Properties

Compound Name3-(1,2-dihydroacenaphthylen-5-yl)pyridine
PubChem CID23644953
Molecular FormulaC17H13N
Molecular Weight231.30 g/mol
Exact Mass231.10
IUPAC Name3-(1,2-dihydroacenaphthylen-5-yl)pyridine
SMILESc1cncc(-c2ccc3c4c(cccc24)CC3)c1
InChIInChI=1S/C17H13N/c1-3-12-6-7-13-8-9-15(16(5-1)17(12)13)14-4-2-10-18-11-14/h1-5,8-11H,6-7H2
InChIKeyBWVFIMXEVGYZOM-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-5-yl)pyridine?
The IUPAC name of 3-(1,2-dihydroacenaphthylen-5-yl)pyridine (CID 23644953) is 3-(1,2-dihydroacenaphthylen-5-yl)pyridine.
What is the SMILES notation for 3-(1,2-dihydroacenaphthylen-5-yl)pyridine?
The canonical SMILES for 3-(1,2-dihydroacenaphthylen-5-yl)pyridine is c1cncc(-c2ccc3c4c(cccc24)CC3)c1.
What is the InChIKey of 3-(1,2-dihydroacenaphthylen-5-yl)pyridine?
The InChIKey is BWVFIMXEVGYZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N/c1-3-12-6-7-13-8-9-15(16(5-1)17(12)13)14-4-2-10-18-11-14/h1-5,8-11H,6-7H2.
What are the key properties of 3-(1,2-dihydroacenaphthylen-5-yl)pyridine?
3-(1,2-dihydroacenaphthylen-5-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-5-yl)pyridine is sourced from PubChem (CID 23644953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).