[6-(3,4-difluorophenoxy)-2-pyridinyl]methanol

C12H9F2NO2 — CID 55053415

IUPAC[6-(3,4-difluorophenoxy)-2-pyridinyl]methanol
SMILESOCc1cccc(Oc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H9F2NO2/c13-10-5-4-9(6-11(10)14)17-12-3-1-2-8(7-16)15-12/h1-6,16H,7H2
InChIKeyAOAVFCKYBOTZSC-UHFFFAOYSA-N
MW237.21 g/mol
LogP2.64
Rot. Bonds3

About [6-(3,4-difluorophenoxy)-2-pyridinyl]methanol

[6-(3,4-difluorophenoxy)-2-pyridinyl]methanol (PubChem CID 55053415) has the molecular formula C12H9F2NO2 and a molecular weight of 237.21 g/mol. Its IUPAC name is [6-(3,4-difluorophenoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(3,4-difluorophenoxy)-2-pyridinyl]methanol
PubChem CID55053415
Molecular FormulaC12H9F2NO2
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name[6-(3,4-difluorophenoxy)-2-pyridinyl]methanol
SMILESOCc1cccc(Oc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H9F2NO2/c13-10-5-4-9(6-11(10)14)17-12-3-1-2-8(7-16)15-12/h1-6,16H,7H2
InChIKeyAOAVFCKYBOTZSC-UHFFFAOYSA-N
XLogP2.64
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(3,4-difluorophenoxy)-2-pyridinyl]methanol?
The IUPAC name of [6-(3,4-difluorophenoxy)-2-pyridinyl]methanol (CID 55053415) is [6-(3,4-difluorophenoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [6-(3,4-difluorophenoxy)-2-pyridinyl]methanol?
The canonical SMILES for [6-(3,4-difluorophenoxy)-2-pyridinyl]methanol is OCc1cccc(Oc2ccc(F)c(F)c2)n1.
What is the InChIKey of [6-(3,4-difluorophenoxy)-2-pyridinyl]methanol?
The InChIKey is AOAVFCKYBOTZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO2/c13-10-5-4-9(6-11(10)14)17-12-3-1-2-8(7-16)15-12/h1-6,16H,7H2.
What are the key properties of [6-(3,4-difluorophenoxy)-2-pyridinyl]methanol?
[6-(3,4-difluorophenoxy)-2-pyridinyl]methanol has a molecular weight of 237.21 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-difluorophenoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 55053415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).