[6-chloro-5-(3-fluorooxetan-3-yl)-2-pyridinyl]methanol

C9H9ClFNO2 — CID 90202444

IUPAC[6-chloro-5-(3-fluorooxetan-3-yl)-2-pyridinyl]methanol
SMILESOCc1ccc(C2(F)COC2)c(Cl)n1
InChIInChI=1S/C9H9ClFNO2/c10-8-7(9(11)4-14-5-9)2-1-6(3-13)12-8/h1-2,13H,3-5H2
InChIKeyBBUXXNWVDXISSY-UHFFFAOYSA-N
MW217.63 g/mol
LogP1.42
Rot. Bonds2

About [6-chloro-5-(3-fluorooxetan-3-yl)-2-pyridinyl]methanol

[6-chloro-5-(3-fluorooxetan-3-yl)-2-pyridinyl]methanol (PubChem CID 90202444) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is [6-chloro-5-(3-fluorooxetan-3-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-chloro-5-(3-fluorooxetan-3-yl)-2-pyridinyl]methanol
PubChem CID90202444
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC Name[6-chloro-5-(3-fluorooxetan-3-yl)-2-pyridinyl]methanol
SMILESOCc1ccc(C2(F)COC2)c(Cl)n1
InChIInChI=1S/C9H9ClFNO2/c10-8-7(9(11)4-14-5-9)2-1-6(3-13)12-8/h1-2,13H,3-5H2
InChIKeyBBUXXNWVDXISSY-UHFFFAOYSA-N
XLogP1.42
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-5-(3-fluorooxetan-3-yl)-2-pyridinyl]methanol?
The IUPAC name of [6-chloro-5-(3-fluorooxetan-3-yl)-2-pyridinyl]methanol (CID 90202444) is [6-chloro-5-(3-fluorooxetan-3-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-chloro-5-(3-fluorooxetan-3-yl)-2-pyridinyl]methanol?
The canonical SMILES for [6-chloro-5-(3-fluorooxetan-3-yl)-2-pyridinyl]methanol is OCc1ccc(C2(F)COC2)c(Cl)n1.
What is the InChIKey of [6-chloro-5-(3-fluorooxetan-3-yl)-2-pyridinyl]methanol?
The InChIKey is BBUXXNWVDXISSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c10-8-7(9(11)4-14-5-9)2-1-6(3-13)12-8/h1-2,13H,3-5H2.
What are the key properties of [6-chloro-5-(3-fluorooxetan-3-yl)-2-pyridinyl]methanol?
[6-chloro-5-(3-fluorooxetan-3-yl)-2-pyridinyl]methanol has a molecular weight of 217.63 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-5-(3-fluorooxetan-3-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 90202444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).