[6-(azetidin-2-yl)-3-chloro-2-pyridinyl]methanol

C9H11ClN2O — CID 55272360

IUPAC[6-(azetidin-2-yl)-3-chloro-2-pyridinyl]methanol
SMILESOCc1nc(C2CCN2)ccc1Cl
InChIInChI=1S/C9H11ClN2O/c10-6-1-2-8(7-3-4-11-7)12-9(6)5-13/h1-2,7,11,13H,3-5H2
InChIKeyYUDSUGYCFUNCOY-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.26
Rot. Bonds2

About [6-(azetidin-2-yl)-3-chloro-2-pyridinyl]methanol

[6-(azetidin-2-yl)-3-chloro-2-pyridinyl]methanol (PubChem CID 55272360) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is [6-(azetidin-2-yl)-3-chloro-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(azetidin-2-yl)-3-chloro-2-pyridinyl]methanol
PubChem CID55272360
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name[6-(azetidin-2-yl)-3-chloro-2-pyridinyl]methanol
SMILESOCc1nc(C2CCN2)ccc1Cl
InChIInChI=1S/C9H11ClN2O/c10-6-1-2-8(7-3-4-11-7)12-9(6)5-13/h1-2,7,11,13H,3-5H2
InChIKeyYUDSUGYCFUNCOY-UHFFFAOYSA-N
XLogP1.26
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(azetidin-2-yl)-3-chloro-2-pyridinyl]methanol?
The IUPAC name of [6-(azetidin-2-yl)-3-chloro-2-pyridinyl]methanol (CID 55272360) is [6-(azetidin-2-yl)-3-chloro-2-pyridinyl]methanol.
What is the SMILES notation for [6-(azetidin-2-yl)-3-chloro-2-pyridinyl]methanol?
The canonical SMILES for [6-(azetidin-2-yl)-3-chloro-2-pyridinyl]methanol is OCc1nc(C2CCN2)ccc1Cl.
What is the InChIKey of [6-(azetidin-2-yl)-3-chloro-2-pyridinyl]methanol?
The InChIKey is YUDSUGYCFUNCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-6-1-2-8(7-3-4-11-7)12-9(6)5-13/h1-2,7,11,13H,3-5H2.
What are the key properties of [6-(azetidin-2-yl)-3-chloro-2-pyridinyl]methanol?
[6-(azetidin-2-yl)-3-chloro-2-pyridinyl]methanol has a molecular weight of 198.65 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(azetidin-2-yl)-3-chloro-2-pyridinyl]methanol is sourced from PubChem (CID 55272360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).