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

C16H15N — CID 6540050

IUPAC3-(1-methyl-3,4-dihydronaphthalen-2-yl)pyridine
SMILESCC1=C(c2cccnc2)CCc2ccccc21
InChIInChI=1S/C16H15N/c1-12-15-7-3-2-5-13(15)8-9-16(12)14-6-4-10-17-11-14/h2-7,10-11H,8-9H2,1H3
InChIKeyWBEMJRFRGOAAJI-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.96
Rot. Bonds1

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

3-(1-methyl-3,4-dihydronaphthalen-2-yl)pyridine (PubChem CID 6540050) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(1-methyl-3,4-dihydronaphthalen-2-yl)pyridine.

Molecular Properties

Compound Name3-(1-methyl-3,4-dihydronaphthalen-2-yl)pyridine
PubChem CID6540050
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name3-(1-methyl-3,4-dihydronaphthalen-2-yl)pyridine
SMILESCC1=C(c2cccnc2)CCc2ccccc21
InChIInChI=1S/C16H15N/c1-12-15-7-3-2-5-13(15)8-9-16(12)14-6-4-10-17-11-14/h2-7,10-11H,8-9H2,1H3
InChIKeyWBEMJRFRGOAAJI-UHFFFAOYSA-N
XLogP3.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3,4-dihydronaphthalen-2-yl)pyridine?
The IUPAC name of 3-(1-methyl-3,4-dihydronaphthalen-2-yl)pyridine (CID 6540050) is 3-(1-methyl-3,4-dihydronaphthalen-2-yl)pyridine.
What is the SMILES notation for 3-(1-methyl-3,4-dihydronaphthalen-2-yl)pyridine?
The canonical SMILES for 3-(1-methyl-3,4-dihydronaphthalen-2-yl)pyridine is CC1=C(c2cccnc2)CCc2ccccc21.
What is the InChIKey of 3-(1-methyl-3,4-dihydronaphthalen-2-yl)pyridine?
The InChIKey is WBEMJRFRGOAAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-12-15-7-3-2-5-13(15)8-9-16(12)14-6-4-10-17-11-14/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 3-(1-methyl-3,4-dihydronaphthalen-2-yl)pyridine?
3-(1-methyl-3,4-dihydronaphthalen-2-yl)pyridine has a molecular weight of 221.30 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3,4-dihydronaphthalen-2-yl)pyridine is sourced from PubChem (CID 6540050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).