2-[(2S)-azetidin-2-yl]-5-bromopyridin-3-ol

C8H9BrN2O — CID 131190620

IUPAC2-[(2S)-azetidin-2-yl]-5-bromopyridin-3-ol
SMILESOc1cc(Br)cnc1[C@@H]1CCN1
InChIInChI=1S/C8H9BrN2O/c9-5-3-7(12)8(11-4-5)6-1-2-10-6/h3-4,6,10,12H,1-2H2/t6-/m0/s1
InChIKeyTVPOTLWOOARJRM-LURJTMIESA-N
MW229.08 g/mol
LogP1.58
Rot. Bonds1

About 2-[(2S)-azetidin-2-yl]-5-bromopyridin-3-ol

2-[(2S)-azetidin-2-yl]-5-bromopyridin-3-ol (PubChem CID 131190620) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 2-[(2S)-azetidin-2-yl]-5-bromopyridin-3-ol.

Molecular Properties

Compound Name2-[(2S)-azetidin-2-yl]-5-bromopyridin-3-ol
PubChem CID131190620
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name2-[(2S)-azetidin-2-yl]-5-bromopyridin-3-ol
SMILESOc1cc(Br)cnc1[C@@H]1CCN1
InChIInChI=1S/C8H9BrN2O/c9-5-3-7(12)8(11-4-5)6-1-2-10-6/h3-4,6,10,12H,1-2H2/t6-/m0/s1
InChIKeyTVPOTLWOOARJRM-LURJTMIESA-N
XLogP1.58
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-azetidin-2-yl]-5-bromopyridin-3-ol?
The IUPAC name of 2-[(2S)-azetidin-2-yl]-5-bromopyridin-3-ol (CID 131190620) is 2-[(2S)-azetidin-2-yl]-5-bromopyridin-3-ol.
What is the SMILES notation for 2-[(2S)-azetidin-2-yl]-5-bromopyridin-3-ol?
The canonical SMILES for 2-[(2S)-azetidin-2-yl]-5-bromopyridin-3-ol is Oc1cc(Br)cnc1[C@@H]1CCN1.
What is the InChIKey of 2-[(2S)-azetidin-2-yl]-5-bromopyridin-3-ol?
The InChIKey is TVPOTLWOOARJRM-LURJTMIESA-N. The full InChI is InChI=1S/C8H9BrN2O/c9-5-3-7(12)8(11-4-5)6-1-2-10-6/h3-4,6,10,12H,1-2H2/t6-/m0/s1.
What are the key properties of 2-[(2S)-azetidin-2-yl]-5-bromopyridin-3-ol?
2-[(2S)-azetidin-2-yl]-5-bromopyridin-3-ol has a molecular weight of 229.08 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-azetidin-2-yl]-5-bromopyridin-3-ol is sourced from PubChem (CID 131190620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).