2-(6,7-dimethyl-3,4-dihydronaphthalen-1-yl)pyridine

C17H17N — CID 164888186

IUPAC2-(6,7-dimethyl-3,4-dihydronaphthalen-1-yl)pyridine
SMILESCc1cc2c(cc1C)C(c1ccccn1)=CCC2
InChIInChI=1S/C17H17N/c1-12-10-14-6-5-7-15(16(14)11-13(12)2)17-8-3-4-9-18-17/h3-4,7-11H,5-6H2,1-2H3
InChIKeyZNZRFSYJMFGDTG-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.08
Rot. Bonds1

About 2-(6,7-dimethyl-3,4-dihydronaphthalen-1-yl)pyridine

2-(6,7-dimethyl-3,4-dihydronaphthalen-1-yl)pyridine (PubChem CID 164888186) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(6,7-dimethyl-3,4-dihydronaphthalen-1-yl)pyridine.

Molecular Properties

Compound Name2-(6,7-dimethyl-3,4-dihydronaphthalen-1-yl)pyridine
PubChem CID164888186
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name2-(6,7-dimethyl-3,4-dihydronaphthalen-1-yl)pyridine
SMILESCc1cc2c(cc1C)C(c1ccccn1)=CCC2
InChIInChI=1S/C17H17N/c1-12-10-14-6-5-7-15(16(14)11-13(12)2)17-8-3-4-9-18-17/h3-4,7-11H,5-6H2,1-2H3
InChIKeyZNZRFSYJMFGDTG-UHFFFAOYSA-N
XLogP4.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-3,4-dihydronaphthalen-1-yl)pyridine?
The IUPAC name of 2-(6,7-dimethyl-3,4-dihydronaphthalen-1-yl)pyridine (CID 164888186) is 2-(6,7-dimethyl-3,4-dihydronaphthalen-1-yl)pyridine.
What is the SMILES notation for 2-(6,7-dimethyl-3,4-dihydronaphthalen-1-yl)pyridine?
The canonical SMILES for 2-(6,7-dimethyl-3,4-dihydronaphthalen-1-yl)pyridine is Cc1cc2c(cc1C)C(c1ccccn1)=CCC2.
What is the InChIKey of 2-(6,7-dimethyl-3,4-dihydronaphthalen-1-yl)pyridine?
The InChIKey is ZNZRFSYJMFGDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-12-10-14-6-5-7-15(16(14)11-13(12)2)17-8-3-4-9-18-17/h3-4,7-11H,5-6H2,1-2H3.
What are the key properties of 2-(6,7-dimethyl-3,4-dihydronaphthalen-1-yl)pyridine?
2-(6,7-dimethyl-3,4-dihydronaphthalen-1-yl)pyridine has a molecular weight of 235.33 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-3,4-dihydronaphthalen-1-yl)pyridine is sourced from PubChem (CID 164888186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).