6-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)pyridin-3-ol

C8H6F5NO2 — CID 130085374

IUPAC6-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)pyridin-3-ol
SMILESOCc1c(O)cnc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H6F5NO2/c9-7(10)6-5(8(11,12)13)3(2-15)4(16)1-14-6/h1,7,15-16H,2H2
InChIKeyIEMGRLGWPLPJSO-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.24
Rot. Bonds2

About 6-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)pyridin-3-ol

6-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)pyridin-3-ol (PubChem CID 130085374) has the molecular formula C8H6F5NO2 and a molecular weight of 243.13 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name6-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)pyridin-3-ol
PubChem CID130085374
Molecular FormulaC8H6F5NO2
Molecular Weight243.13 g/mol
Exact Mass243.03
IUPAC Name6-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)pyridin-3-ol
SMILESOCc1c(O)cnc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H6F5NO2/c9-7(10)6-5(8(11,12)13)3(2-15)4(16)1-14-6/h1,7,15-16H,2H2
InChIKeyIEMGRLGWPLPJSO-UHFFFAOYSA-N
XLogP2.24
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118814850
6-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)pyridin-3-ol
CID 130079568
[2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 118826518
[5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 133084455
[4-amino-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 130107749
4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)pyridine
CID 130082133
[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol
CID 118854091
ethyl 2-[2-(difluoromethyl)-5-methyl-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 171029266
[2-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118837393
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118801499
[2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-4-pyridinyl]methanamine
CID 133084908
4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridin-3-ol
CID 130082698

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)pyridin-3-ol?
The IUPAC name of 6-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)pyridin-3-ol (CID 130085374) is 6-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)pyridin-3-ol.
What is the SMILES notation for 6-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)pyridin-3-ol?
The canonical SMILES for 6-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)pyridin-3-ol is OCc1c(O)cnc(C(F)F)c1C(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)pyridin-3-ol?
The InChIKey is IEMGRLGWPLPJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO2/c9-7(10)6-5(8(11,12)13)3(2-15)4(16)1-14-6/h1,7,15-16H,2H2.
What are the key properties of 6-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)pyridin-3-ol?
6-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)pyridin-3-ol has a molecular weight of 243.13 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)pyridin-3-ol is sourced from PubChem (CID 130085374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).