2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol

C8H9F2NO2 — CID 112575542

IUPAC2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol
SMILESCOc1cncc(C(O)C(F)F)c1
InChIInChI=1S/C8H9F2NO2/c1-13-6-2-5(3-11-4-6)7(12)8(9)10/h2-4,7-8,12H,1H3
InChIKeyQMLLACBSVUTZJO-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.39
Rot. Bonds3

About 2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol

2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol (PubChem CID 112575542) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol
PubChem CID112575542
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol
SMILESCOc1cncc(C(O)C(F)F)c1
InChIInChI=1S/C8H9F2NO2/c1-13-6-2-5(3-11-4-6)7(12)8(9)10/h2-4,7-8,12H,1H3
InChIKeyQMLLACBSVUTZJO-UHFFFAOYSA-N
XLogP1.39
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-3-pyridinyl)-(5-methoxy-3-pyridinyl)methanol
CID 105121302
3-(dimethoxymethyl)-5-methoxypyridine
CID 45361740
3-azido-1-(5-methoxy-3-pyridinyl)propane-1,2-diol
CID 170825798
(5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol
CID 115828863
(5-methoxy-3-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 112680797
(4-chloro-2,5-difluorophenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828955
4-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylbutan-1-ol
CID 105121262
2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine
CID 105026191
1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105175369
(2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828878
(5-methoxy-3-pyridinyl)-(6-methoxypyrimidin-4-yl)methanol
CID 102950306
(5-methoxy-3-pyridinyl)-(thiadiazol-4-yl)methanol
CID 105121227

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol?
The IUPAC name of 2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol (CID 112575542) is 2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol.
What is the SMILES notation for 2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol?
The canonical SMILES for 2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol is COc1cncc(C(O)C(F)F)c1.
What is the InChIKey of 2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol?
The InChIKey is QMLLACBSVUTZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c1-13-6-2-5(3-11-4-6)7(12)8(9)10/h2-4,7-8,12H,1H3.
What are the key properties of 2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol?
2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol has a molecular weight of 189.16 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol is sourced from PubChem (CID 112575542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).