3-(6-methoxy-3-methylnaphthalen-2-yl)pyridine

C17H15NO — CID 44586852

IUPAC3-(6-methoxy-3-methylnaphthalen-2-yl)pyridine
SMILESCOc1ccc2cc(-c3cccnc3)c(C)cc2c1
InChIInChI=1S/C17H15NO/c1-12-8-15-9-16(19-2)6-5-13(15)10-17(12)14-4-3-7-18-11-14/h3-11H,1-2H3
InChIKeyYGFDDQOJFLQBKT-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.22
Rot. Bonds2

About 3-(6-methoxy-3-methylnaphthalen-2-yl)pyridine

3-(6-methoxy-3-methylnaphthalen-2-yl)pyridine (PubChem CID 44586852) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(6-methoxy-3-methylnaphthalen-2-yl)pyridine.

Molecular Properties

Compound Name3-(6-methoxy-3-methylnaphthalen-2-yl)pyridine
PubChem CID44586852
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name3-(6-methoxy-3-methylnaphthalen-2-yl)pyridine
SMILESCOc1ccc2cc(-c3cccnc3)c(C)cc2c1
InChIInChI=1S/C17H15NO/c1-12-8-15-9-16(19-2)6-5-13(15)10-17(12)14-4-3-7-18-11-14/h3-11H,1-2H3
InChIKeyYGFDDQOJFLQBKT-UHFFFAOYSA-N
XLogP4.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-methylnaphthalen-2-yl)pyridine?
The IUPAC name of 3-(6-methoxy-3-methylnaphthalen-2-yl)pyridine (CID 44586852) is 3-(6-methoxy-3-methylnaphthalen-2-yl)pyridine.
What is the SMILES notation for 3-(6-methoxy-3-methylnaphthalen-2-yl)pyridine?
The canonical SMILES for 3-(6-methoxy-3-methylnaphthalen-2-yl)pyridine is COc1ccc2cc(-c3cccnc3)c(C)cc2c1.
What is the InChIKey of 3-(6-methoxy-3-methylnaphthalen-2-yl)pyridine?
The InChIKey is YGFDDQOJFLQBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-12-8-15-9-16(19-2)6-5-13(15)10-17(12)14-4-3-7-18-11-14/h3-11H,1-2H3.
What are the key properties of 3-(6-methoxy-3-methylnaphthalen-2-yl)pyridine?
3-(6-methoxy-3-methylnaphthalen-2-yl)pyridine has a molecular weight of 249.31 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-methylnaphthalen-2-yl)pyridine is sourced from PubChem (CID 44586852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).