[2-(2,2-difluoroethoxy)-4-pyridinyl]methanol

C8H9F2NO2 — CID 82007049

IUPAC[2-(2,2-difluoroethoxy)-4-pyridinyl]methanol
SMILESOCc1ccnc(OCC(F)F)c1
InChIInChI=1S/C8H9F2NO2/c9-7(10)5-13-8-3-6(4-12)1-2-11-8/h1-3,7,12H,4-5H2
InChIKeyATEBXQDYSYFYJA-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.22
Rot. Bonds4

About [2-(2,2-difluoroethoxy)-4-pyridinyl]methanol

[2-(2,2-difluoroethoxy)-4-pyridinyl]methanol (PubChem CID 82007049) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is [2-(2,2-difluoroethoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(2,2-difluoroethoxy)-4-pyridinyl]methanol
PubChem CID82007049
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name[2-(2,2-difluoroethoxy)-4-pyridinyl]methanol
SMILESOCc1ccnc(OCC(F)F)c1
InChIInChI=1S/C8H9F2NO2/c9-7(10)5-13-8-3-6(4-12)1-2-11-8/h1-3,7,12H,4-5H2
InChIKeyATEBXQDYSYFYJA-UHFFFAOYSA-N
XLogP1.22
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-propoxy-4-pyridinyl)methanol
CID 61256143
[2-(2-propan-2-yloxyethoxy)-4-pyridinyl]methanol
CID 61256549
[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methanol
CID 61257367
2-(2,2-difluoroethoxy)-N'-hydroxypyridine-4-carboximidamide
CID 155271721
[2-(4-fluorophenoxy)-4-pyridinyl]methanol
CID 61257536
N-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide
CID 99777136
1-[2-(2,2-difluoroethoxy)-4-pyridinyl]-N-methylethanamine
CID 82005773
(2S,3S)-N-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-2-methyloxolan-3-amine
CID 97116354
[2-(4-methylsulfanylphenoxy)-4-pyridinyl]methanol
CID 55245584
[2-(1-phenylethoxy)-4-pyridinyl]methanol
CID 61256752
[2-(2-bromo-4-fluorophenoxy)-4-pyridinyl]methanol
CID 61255659
[2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-pyridinyl]methanol
CID 102740402

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-difluoroethoxy)-4-pyridinyl]methanol?
The IUPAC name of [2-(2,2-difluoroethoxy)-4-pyridinyl]methanol (CID 82007049) is [2-(2,2-difluoroethoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [2-(2,2-difluoroethoxy)-4-pyridinyl]methanol?
The canonical SMILES for [2-(2,2-difluoroethoxy)-4-pyridinyl]methanol is OCc1ccnc(OCC(F)F)c1.
What is the InChIKey of [2-(2,2-difluoroethoxy)-4-pyridinyl]methanol?
The InChIKey is ATEBXQDYSYFYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c9-7(10)5-13-8-3-6(4-12)1-2-11-8/h1-3,7,12H,4-5H2.
What are the key properties of [2-(2,2-difluoroethoxy)-4-pyridinyl]methanol?
[2-(2,2-difluoroethoxy)-4-pyridinyl]methanol has a molecular weight of 189.16 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-difluoroethoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 82007049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).