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

C16H15N — CID 6540053

IUPAC3-(4-methyl-3,4-dihydronaphthalen-2-yl)pyridine
SMILESCC1CC(c2cccnc2)=Cc2ccccc21
InChIInChI=1S/C16H15N/c1-12-9-15(14-6-4-8-17-11-14)10-13-5-2-3-7-16(12)13/h2-8,10-12H,9H2,1H3
InChIKeyHIOBIABFPPEMPT-UHFFFAOYSA-N
MW221.30 g/mol
LogP4.13
Rot. Bonds1

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

3-(4-methyl-3,4-dihydronaphthalen-2-yl)pyridine (PubChem CID 6540053) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(4-methyl-3,4-dihydronaphthalen-2-yl)pyridine.

Molecular Properties

Compound Name3-(4-methyl-3,4-dihydronaphthalen-2-yl)pyridine
PubChem CID6540053
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name3-(4-methyl-3,4-dihydronaphthalen-2-yl)pyridine
SMILESCC1CC(c2cccnc2)=Cc2ccccc21
InChIInChI=1S/C16H15N/c1-12-9-15(14-6-4-8-17-11-14)10-13-5-2-3-7-16(12)13/h2-8,10-12H,9H2,1H3
InChIKeyHIOBIABFPPEMPT-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(4-methyl-3,4-dihydronaphthalen-2-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-3,4-dihydronaphthalen-2-yl)pyridine?
The IUPAC name of 3-(4-methyl-3,4-dihydronaphthalen-2-yl)pyridine (CID 6540053) is 3-(4-methyl-3,4-dihydronaphthalen-2-yl)pyridine.
What is the SMILES notation for 3-(4-methyl-3,4-dihydronaphthalen-2-yl)pyridine?
The canonical SMILES for 3-(4-methyl-3,4-dihydronaphthalen-2-yl)pyridine is CC1CC(c2cccnc2)=Cc2ccccc21.
What is the InChIKey of 3-(4-methyl-3,4-dihydronaphthalen-2-yl)pyridine?
The InChIKey is HIOBIABFPPEMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-12-9-15(14-6-4-8-17-11-14)10-13-5-2-3-7-16(12)13/h2-8,10-12H,9H2,1H3.
What are the key properties of 3-(4-methyl-3,4-dihydronaphthalen-2-yl)pyridine?
3-(4-methyl-3,4-dihydronaphthalen-2-yl)pyridine has a molecular weight of 221.30 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3,4-dihydronaphthalen-2-yl)pyridine is sourced from PubChem (CID 6540053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).