[5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]methanediol

C12H9ClFNO3 — CID 143796359

IUPAC[5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]methanediol
SMILESOC(O)c1cc(Cl)cnc1Oc1ccc(F)cc1
InChIInChI=1S/C12H9ClFNO3/c13-7-5-10(12(16)17)11(15-6-7)18-9-3-1-8(14)2-4-9/h1-6,12,16-17H
InChIKeyFYNPTTKFAJPICQ-UHFFFAOYSA-N
MW269.66 g/mol
LogP2.65
Rot. Bonds3

About [5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]methanediol

[5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]methanediol (PubChem CID 143796359) has the molecular formula C12H9ClFNO3 and a molecular weight of 269.66 g/mol. Its IUPAC name is [5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]methanediol.

Molecular Properties

Compound Name[5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]methanediol
PubChem CID143796359
Molecular FormulaC12H9ClFNO3
Molecular Weight269.66 g/mol
Exact Mass269.03
IUPAC Name[5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]methanediol
SMILESOC(O)c1cc(Cl)cnc1Oc1ccc(F)cc1
InChIInChI=1S/C12H9ClFNO3/c13-7-5-10(12(16)17)11(15-6-7)18-9-3-1-8(14)2-4-9/h1-6,12,16-17H
InChIKeyFYNPTTKFAJPICQ-UHFFFAOYSA-N
XLogP2.65
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.66
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]methanediol?
The IUPAC name of [5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]methanediol (CID 143796359) is [5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]methanediol.
What is the SMILES notation for [5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]methanediol?
The canonical SMILES for [5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]methanediol is OC(O)c1cc(Cl)cnc1Oc1ccc(F)cc1.
What is the InChIKey of [5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]methanediol?
The InChIKey is FYNPTTKFAJPICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO3/c13-7-5-10(12(16)17)11(15-6-7)18-9-3-1-8(14)2-4-9/h1-6,12,16-17H.
What are the key properties of [5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]methanediol?
[5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]methanediol has a molecular weight of 269.66 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]methanediol is sourced from PubChem (CID 143796359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).