3-methoxy-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridine

C12H16N2O — CID 169114026

IUPAC3-methoxy-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridine
SMILESCOc1cncc(C2=NCC(C)CC2)c1
InChIInChI=1S/C12H16N2O/c1-9-3-4-12(14-6-9)10-5-11(15-2)8-13-7-10/h5,7-9H,3-4,6H2,1-2H3
InChIKeyNQDBHMHFJPSTED-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.31
Rot. Bonds2

About 3-methoxy-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridine

3-methoxy-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridine (PubChem CID 169114026) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-methoxy-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridine.

Molecular Properties

Compound Name3-methoxy-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridine
PubChem CID169114026
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-methoxy-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridine
SMILESCOc1cncc(C2=NCC(C)CC2)c1
InChIInChI=1S/C12H16N2O/c1-9-3-4-12(14-6-9)10-5-11(15-2)8-13-7-10/h5,7-9H,3-4,6H2,1-2H3
InChIKeyNQDBHMHFJPSTED-UHFFFAOYSA-N
XLogP2.31
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridine?
The IUPAC name of 3-methoxy-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridine (CID 169114026) is 3-methoxy-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridine.
What is the SMILES notation for 3-methoxy-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridine?
The canonical SMILES for 3-methoxy-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridine is COc1cncc(C2=NCC(C)CC2)c1.
What is the InChIKey of 3-methoxy-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridine?
The InChIKey is NQDBHMHFJPSTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-3-4-12(14-6-9)10-5-11(15-2)8-13-7-10/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of 3-methoxy-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridine?
3-methoxy-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridine has a molecular weight of 204.27 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridine is sourced from PubChem (CID 169114026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).