[4-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanol

C8H5F6NO2 — CID 118806347

IUPAC[4-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESOCc1cnc(OC(F)(F)F)c(F)c1C(F)F
InChIInChI=1S/C8H5F6NO2/c9-5-4(6(10)11)3(2-16)1-15-7(5)17-8(12,13)14/h1,6,16H,2H2
InChIKeyUTBCSYSYCPVDLH-UHFFFAOYSA-N
MW261.12 g/mol
LogP2.55
Rot. Bonds3

About [4-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanol

[4-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanol (PubChem CID 118806347) has the molecular formula C8H5F6NO2 and a molecular weight of 261.12 g/mol. Its IUPAC name is [4-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanol
PubChem CID118806347
Molecular FormulaC8H5F6NO2
Molecular Weight261.12 g/mol
Exact Mass261.02
IUPAC Name[4-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESOCc1cnc(OC(F)(F)F)c(F)c1C(F)F
InChIInChI=1S/C8H5F6NO2/c9-5-4(6(10)11)3(2-16)1-15-7(5)17-8(12,13)14/h1,6,16H,2H2
InChIKeyUTBCSYSYCPVDLH-UHFFFAOYSA-N
XLogP2.55
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(chloromethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134668063
[6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 119003837
2-[4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134663634
2-[5-(aminomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134668988
4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 134677098
[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 133085828
5-(bromomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 134661099
[4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131570412
5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine
CID 134662895
[4-(difluoromethyl)-2-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118846428
methyl 2-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134658983
ethyl 2-[5-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134679121

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanol?
The IUPAC name of [4-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanol (CID 118806347) is [4-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [4-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanol is OCc1cnc(OC(F)(F)F)c(F)c1C(F)F.
What is the InChIKey of [4-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanol?
The InChIKey is UTBCSYSYCPVDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO2/c9-5-4(6(10)11)3(2-16)1-15-7(5)17-8(12,13)14/h1,6,16H,2H2.
What are the key properties of [4-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanol?
[4-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanol has a molecular weight of 261.12 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 118806347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).