5-(fluoromethyl)-2-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol

C8H7F4NO3 — CID 134677273

IUPAC5-(fluoromethyl)-2-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol
SMILESOCc1ncc(CF)c(OC(F)(F)F)c1O
InChIInChI=1S/C8H7F4NO3/c9-1-4-2-13-5(3-14)6(15)7(4)16-8(10,11)12/h2,14-15H,1,3H2
InChIKeySMTLVJCASKPSOF-UHFFFAOYSA-N
MW241.14 g/mol
LogP1.65
Rot. Bonds3

About 5-(fluoromethyl)-2-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol

5-(fluoromethyl)-2-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol (PubChem CID 134677273) has the molecular formula C8H7F4NO3 and a molecular weight of 241.14 g/mol. Its IUPAC name is 5-(fluoromethyl)-2-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol.

Molecular Properties

Compound Name5-(fluoromethyl)-2-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol
PubChem CID134677273
Molecular FormulaC8H7F4NO3
Molecular Weight241.14 g/mol
Exact Mass241.04
IUPAC Name5-(fluoromethyl)-2-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol
SMILESOCc1ncc(CF)c(OC(F)(F)F)c1O
InChIInChI=1S/C8H7F4NO3/c9-1-4-2-13-5(3-14)6(15)7(4)16-8(10,11)12/h2,14-15H,1,3H2
InChIKeySMTLVJCASKPSOF-UHFFFAOYSA-N
XLogP1.65
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.14
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-5-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol
CID 118838341
2-[5-(fluoromethyl)-3-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095951
[5-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134680899
4-amino-5-(fluoromethyl)-2-(trifluoromethoxy)pyridin-3-ol
CID 118811668
5-(fluoromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130111324
[5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 134671563
methyl 2-[6-(fluoromethyl)-4-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134677069
[3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 130113156
ethyl 2-[6-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134680236
methyl 5-(fluoromethyl)-3-iodo-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134669057
5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131600848
[5-iodo-4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 130112949

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-2-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol?
The IUPAC name of 5-(fluoromethyl)-2-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol (CID 134677273) is 5-(fluoromethyl)-2-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol.
What is the SMILES notation for 5-(fluoromethyl)-2-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol?
The canonical SMILES for 5-(fluoromethyl)-2-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol is OCc1ncc(CF)c(OC(F)(F)F)c1O.
What is the InChIKey of 5-(fluoromethyl)-2-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol?
The InChIKey is SMTLVJCASKPSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO3/c9-1-4-2-13-5(3-14)6(15)7(4)16-8(10,11)12/h2,14-15H,1,3H2.
What are the key properties of 5-(fluoromethyl)-2-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol?
5-(fluoromethyl)-2-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol has a molecular weight of 241.14 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-2-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol is sourced from PubChem (CID 134677273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).