[6-(azetidin-1-yl)-5-bromo-2-pyridinyl]methanol

C9H11BrN2O — CID 90357186

IUPAC[6-(azetidin-1-yl)-5-bromo-2-pyridinyl]methanol
SMILESOCc1ccc(Br)c(N2CCC2)n1
InChIInChI=1S/C9H11BrN2O/c10-8-3-2-7(6-13)11-9(8)12-4-1-5-12/h2-3,13H,1,4-6H2
InChIKeyILVRPULTMCNVKL-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.55
Rot. Bonds2

About [6-(azetidin-1-yl)-5-bromo-2-pyridinyl]methanol

[6-(azetidin-1-yl)-5-bromo-2-pyridinyl]methanol (PubChem CID 90357186) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is [6-(azetidin-1-yl)-5-bromo-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(azetidin-1-yl)-5-bromo-2-pyridinyl]methanol
PubChem CID90357186
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name[6-(azetidin-1-yl)-5-bromo-2-pyridinyl]methanol
SMILESOCc1ccc(Br)c(N2CCC2)n1
InChIInChI=1S/C9H11BrN2O/c10-8-3-2-7(6-13)11-9(8)12-4-1-5-12/h2-3,13H,1,4-6H2
InChIKeyILVRPULTMCNVKL-UHFFFAOYSA-N
XLogP1.55
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(azetidin-1-yl)-5-bromo-2-pyridinyl]methanol?
The IUPAC name of [6-(azetidin-1-yl)-5-bromo-2-pyridinyl]methanol (CID 90357186) is [6-(azetidin-1-yl)-5-bromo-2-pyridinyl]methanol.
What is the SMILES notation for [6-(azetidin-1-yl)-5-bromo-2-pyridinyl]methanol?
The canonical SMILES for [6-(azetidin-1-yl)-5-bromo-2-pyridinyl]methanol is OCc1ccc(Br)c(N2CCC2)n1.
What is the InChIKey of [6-(azetidin-1-yl)-5-bromo-2-pyridinyl]methanol?
The InChIKey is ILVRPULTMCNVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c10-8-3-2-7(6-13)11-9(8)12-4-1-5-12/h2-3,13H,1,4-6H2.
What are the key properties of [6-(azetidin-1-yl)-5-bromo-2-pyridinyl]methanol?
[6-(azetidin-1-yl)-5-bromo-2-pyridinyl]methanol has a molecular weight of 243.10 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(azetidin-1-yl)-5-bromo-2-pyridinyl]methanol is sourced from PubChem (CID 90357186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).