5-[[(2R)-azetidin-2-yl]methoxy]-3-bromo-2-methoxypyridine

C10H13BrN2O2 — CID 142643453

IUPAC5-[[(2R)-azetidin-2-yl]methoxy]-3-bromo-2-methoxypyridine
SMILESCOc1ncc(OC[C@H]2CCN2)cc1Br
InChIInChI=1S/C10H13BrN2O2/c1-14-10-9(11)4-8(5-13-10)15-6-7-2-3-12-7/h4-5,7,12H,2-3,6H2,1H3/t7-/m1/s1
InChIKeyOATNGWGRLHXCNY-SSDOTTSWSA-N
MW273.13 g/mol
LogP1.59
Rot. Bonds4

About 5-[[(2R)-azetidin-2-yl]methoxy]-3-bromo-2-methoxypyridine

5-[[(2R)-azetidin-2-yl]methoxy]-3-bromo-2-methoxypyridine (PubChem CID 142643453) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-[[(2R)-azetidin-2-yl]methoxy]-3-bromo-2-methoxypyridine.

Molecular Properties

Compound Name5-[[(2R)-azetidin-2-yl]methoxy]-3-bromo-2-methoxypyridine
PubChem CID142643453
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name5-[[(2R)-azetidin-2-yl]methoxy]-3-bromo-2-methoxypyridine
SMILESCOc1ncc(OC[C@H]2CCN2)cc1Br
InChIInChI=1S/C10H13BrN2O2/c1-14-10-9(11)4-8(5-13-10)15-6-7-2-3-12-7/h4-5,7,12H,2-3,6H2,1H3/t7-/m1/s1
InChIKeyOATNGWGRLHXCNY-SSDOTTSWSA-N
XLogP1.59
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-azetidin-2-yl]methoxy]-3-bromo-2-methoxypyridine?
The IUPAC name of 5-[[(2R)-azetidin-2-yl]methoxy]-3-bromo-2-methoxypyridine (CID 142643453) is 5-[[(2R)-azetidin-2-yl]methoxy]-3-bromo-2-methoxypyridine.
What is the SMILES notation for 5-[[(2R)-azetidin-2-yl]methoxy]-3-bromo-2-methoxypyridine?
The canonical SMILES for 5-[[(2R)-azetidin-2-yl]methoxy]-3-bromo-2-methoxypyridine is COc1ncc(OC[C@H]2CCN2)cc1Br.
What is the InChIKey of 5-[[(2R)-azetidin-2-yl]methoxy]-3-bromo-2-methoxypyridine?
The InChIKey is OATNGWGRLHXCNY-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-14-10-9(11)4-8(5-13-10)15-6-7-2-3-12-7/h4-5,7,12H,2-3,6H2,1H3/t7-/m1/s1.
What are the key properties of 5-[[(2R)-azetidin-2-yl]methoxy]-3-bromo-2-methoxypyridine?
5-[[(2R)-azetidin-2-yl]methoxy]-3-bromo-2-methoxypyridine has a molecular weight of 273.13 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-azetidin-2-yl]methoxy]-3-bromo-2-methoxypyridine is sourced from PubChem (CID 142643453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).