5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridin-3-ol

C8H9F2NO3 — CID 130083427

IUPAC5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridin-3-ol
SMILESCOc1c(O)cnc(CO)c1C(F)F
InChIInChI=1S/C8H9F2NO3/c1-14-7-5(13)2-11-4(3-12)6(7)8(9)10/h2,8,12-13H,3H2,1H3
InChIKeyZSLFGJNAKRWXTC-UHFFFAOYSA-N
MW205.16 g/mol
LogP1.23
Rot. Bonds3

About 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridin-3-ol

5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridin-3-ol (PubChem CID 130083427) has the molecular formula C8H9F2NO3 and a molecular weight of 205.16 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridin-3-ol.

Molecular Properties

Compound Name5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridin-3-ol
PubChem CID130083427
Molecular FormulaC8H9F2NO3
Molecular Weight205.16 g/mol
Exact Mass205.06
IUPAC Name5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridin-3-ol
SMILESCOc1c(O)cnc(CO)c1C(F)F
InChIInChI=1S/C8H9F2NO3/c1-14-7-5(13)2-11-4(3-12)6(7)8(9)10/h2,8,12-13H,3H2,1H3
InChIKeyZSLFGJNAKRWXTC-UHFFFAOYSA-N
XLogP1.23
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile
CID 130078069
6-chloro-5-(difluoromethyl)-4-methoxypyridin-3-ol
CID 119013301
5-(difluoromethyl)-4-fluoro-6-(hydroxymethyl)pyridin-3-ol
CID 130079587
4-(difluoromethyl)-2-(hydroxymethyl)-5-methoxypyridin-3-ol
CID 118835243
[3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol
CID 130073890
[3-(difluoromethyl)-4-fluoro-5-methyl-2-pyridinyl]methanol
CID 130081112
[4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol
CID 130085739
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118824029
4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile
CID 119021849
methyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
CID 133103562
ethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
CID 133103341
2-(chloromethyl)-4-(difluoromethyl)-3,5-dimethoxypyridine
CID 118854941

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridin-3-ol?
The IUPAC name of 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridin-3-ol (CID 130083427) is 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridin-3-ol.
What is the SMILES notation for 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridin-3-ol?
The canonical SMILES for 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridin-3-ol is COc1c(O)cnc(CO)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridin-3-ol?
The InChIKey is ZSLFGJNAKRWXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3/c1-14-7-5(13)2-11-4(3-12)6(7)8(9)10/h2,8,12-13H,3H2,1H3.
What are the key properties of 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridin-3-ol?
5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridin-3-ol has a molecular weight of 205.16 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridin-3-ol is sourced from PubChem (CID 130083427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).