3-(1-ethyl-3,4-dihydronaphthalen-2-yl)pyridine

C17H17N — CID 6540051

IUPAC3-(1-ethyl-3,4-dihydronaphthalen-2-yl)pyridine
SMILESCCC1=C(c2cccnc2)CCc2ccccc21
InChIInChI=1S/C17H17N/c1-2-15-16-8-4-3-6-13(16)9-10-17(15)14-7-5-11-18-12-14/h3-8,11-12H,2,9-10H2,1H3
InChIKeyZKPVULIWDZEZIT-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.35
Rot. Bonds2

About 3-(1-ethyl-3,4-dihydronaphthalen-2-yl)pyridine

3-(1-ethyl-3,4-dihydronaphthalen-2-yl)pyridine (PubChem CID 6540051) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(1-ethyl-3,4-dihydronaphthalen-2-yl)pyridine.

Molecular Properties

Compound Name3-(1-ethyl-3,4-dihydronaphthalen-2-yl)pyridine
PubChem CID6540051
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name3-(1-ethyl-3,4-dihydronaphthalen-2-yl)pyridine
SMILESCCC1=C(c2cccnc2)CCc2ccccc21
InChIInChI=1S/C17H17N/c1-2-15-16-8-4-3-6-13(16)9-10-17(15)14-7-5-11-18-12-14/h3-8,11-12H,2,9-10H2,1H3
InChIKeyZKPVULIWDZEZIT-UHFFFAOYSA-N
XLogP4.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3,4-dihydronaphthalen-2-yl)pyridine?
The IUPAC name of 3-(1-ethyl-3,4-dihydronaphthalen-2-yl)pyridine (CID 6540051) is 3-(1-ethyl-3,4-dihydronaphthalen-2-yl)pyridine.
What is the SMILES notation for 3-(1-ethyl-3,4-dihydronaphthalen-2-yl)pyridine?
The canonical SMILES for 3-(1-ethyl-3,4-dihydronaphthalen-2-yl)pyridine is CCC1=C(c2cccnc2)CCc2ccccc21.
What is the InChIKey of 3-(1-ethyl-3,4-dihydronaphthalen-2-yl)pyridine?
The InChIKey is ZKPVULIWDZEZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-2-15-16-8-4-3-6-13(16)9-10-17(15)14-7-5-11-18-12-14/h3-8,11-12H,2,9-10H2,1H3.
What are the key properties of 3-(1-ethyl-3,4-dihydronaphthalen-2-yl)pyridine?
3-(1-ethyl-3,4-dihydronaphthalen-2-yl)pyridine has a molecular weight of 235.33 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3,4-dihydronaphthalen-2-yl)pyridine is sourced from PubChem (CID 6540051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).