2-(azetidin-3-yl)-3-methoxypyridine

C9H12N2O — CID 130160263

IUPAC2-(azetidin-3-yl)-3-methoxypyridine
SMILESCOc1cccnc1C1CNC1
InChIInChI=1S/C9H12N2O/c1-12-8-3-2-4-11-9(8)7-5-10-6-7/h2-4,7,10H,5-6H2,1H3
InChIKeySUKLRPQLTWNGNK-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.78
Rot. Bonds2

About 2-(azetidin-3-yl)-3-methoxypyridine

2-(azetidin-3-yl)-3-methoxypyridine (PubChem CID 130160263) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-3-methoxypyridine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-3-methoxypyridine
PubChem CID130160263
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-(azetidin-3-yl)-3-methoxypyridine
SMILESCOc1cccnc1C1CNC1
InChIInChI=1S/C9H12N2O/c1-12-8-3-2-4-11-9(8)7-5-10-6-7/h2-4,7,10H,5-6H2,1H3
InChIKeySUKLRPQLTWNGNK-UHFFFAOYSA-N
XLogP0.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-3-methoxypyridine?
The IUPAC name of 2-(azetidin-3-yl)-3-methoxypyridine (CID 130160263) is 2-(azetidin-3-yl)-3-methoxypyridine.
What is the SMILES notation for 2-(azetidin-3-yl)-3-methoxypyridine?
The canonical SMILES for 2-(azetidin-3-yl)-3-methoxypyridine is COc1cccnc1C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-3-methoxypyridine?
The InChIKey is SUKLRPQLTWNGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-12-8-3-2-4-11-9(8)7-5-10-6-7/h2-4,7,10H,5-6H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-3-methoxypyridine?
2-(azetidin-3-yl)-3-methoxypyridine has a molecular weight of 164.21 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-3-methoxypyridine is sourced from PubChem (CID 130160263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).