3-[[(2S)-azetidin-2-yl]methoxy]-5-bromopyridine

C9H11BrN2O — CID 10421874

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-bromopyridine
SMILESBrc1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C9H11BrN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1
InChIKeyRXDAKJWSDOQUGH-QMMMGPOBSA-N
MW243.10 g/mol
LogP1.58
Rot. Bonds3

About 3-[[(2S)-azetidin-2-yl]methoxy]-5-bromopyridine

3-[[(2S)-azetidin-2-yl]methoxy]-5-bromopyridine (PubChem CID 10421874) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-bromopyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-bromopyridine
PubChem CID10421874
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-bromopyridine
SMILESBrc1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C9H11BrN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1
InChIKeyRXDAKJWSDOQUGH-QMMMGPOBSA-N
XLogP1.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-bromopyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-bromopyridine (CID 10421874) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-bromopyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-bromopyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-bromopyridine is Brc1cncc(OC[C@@H]2CCN2)c1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-bromopyridine?
The InChIKey is RXDAKJWSDOQUGH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11BrN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-bromopyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-5-bromopyridine has a molecular weight of 243.10 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-azetidin-2-yl]methoxy]-5-bromopyridine is sourced from PubChem (CID 10421874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).