[5-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol

C8H6F5NO2 — CID 134680899

IUPAC[5-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESOCc1c(CF)ncc(F)c1OC(F)(F)F
InChIInChI=1S/C8H6F5NO2/c9-1-6-4(3-15)7(5(10)2-14-6)16-8(11,12)13/h2,15H,1,3H2
InChIKeyIOLUDIUYCWMITM-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.08
Rot. Bonds3

About [5-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol

[5-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol (PubChem CID 134680899) has the molecular formula C8H6F5NO2 and a molecular weight of 243.13 g/mol. Its IUPAC name is [5-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
PubChem CID134680899
Molecular FormulaC8H6F5NO2
Molecular Weight243.13 g/mol
Exact Mass243.03
IUPAC Name[5-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESOCc1c(CF)ncc(F)c1OC(F)(F)F
InChIInChI=1S/C8H6F5NO2/c9-1-6-4(3-15)7(5(10)2-14-6)16-8(11,12)13/h2,15H,1,3H2
InChIKeyIOLUDIUYCWMITM-UHFFFAOYSA-N
XLogP2.08
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(fluoromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134680128
5-(fluoromethyl)-2-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol
CID 134677273
[3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130094304
[2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118855287
2-[2-(fluoromethyl)-5-hydroxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118848779
[2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118820192
6-(chloromethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 130112453
[2-(bromomethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118843706
2-(fluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118849000
2-[2-(fluoromethyl)-5-hydroxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134681335
[2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118999909
2-[5-amino-2-(fluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 133087425

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol?
The IUPAC name of [5-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol (CID 134680899) is [5-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [5-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [5-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol is OCc1c(CF)ncc(F)c1OC(F)(F)F.
What is the InChIKey of [5-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol?
The InChIKey is IOLUDIUYCWMITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO2/c9-1-6-4(3-15)7(5(10)2-14-6)16-8(11,12)13/h2,15H,1,3H2.
What are the key properties of [5-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol?
[5-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol has a molecular weight of 243.13 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 134680899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).