[6-(fluoromethyl)-5-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol

C8H6F4INO2 — CID 118803901

IUPAC[6-(fluoromethyl)-5-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESOCc1cc(I)c(CF)nc1OC(F)(F)F
InChIInChI=1S/C8H6F4INO2/c9-2-6-5(13)1-4(3-15)7(14-6)16-8(10,11)12/h1,15H,2-3H2
InChIKeyNPUJKTHLKCLSHR-UHFFFAOYSA-N
MW351.04 g/mol
LogP2.55
Rot. Bonds3

About [6-(fluoromethyl)-5-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol

[6-(fluoromethyl)-5-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol (PubChem CID 118803901) has the molecular formula C8H6F4INO2 and a molecular weight of 351.04 g/mol. Its IUPAC name is [6-(fluoromethyl)-5-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(fluoromethyl)-5-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
PubChem CID118803901
Molecular FormulaC8H6F4INO2
Molecular Weight351.04 g/mol
Exact Mass350.94
IUPAC Name[6-(fluoromethyl)-5-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESOCc1cc(I)c(CF)nc1OC(F)(F)F
InChIInChI=1S/C8H6F4INO2/c9-2-6-5(13)1-4(3-15)7(14-6)16-8(10,11)12/h1,15H,2-3H2
InChIKeyNPUJKTHLKCLSHR-UHFFFAOYSA-N
XLogP2.55
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.04
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[5-iodo-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130112945
[6-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118849345
[5-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134662929
5-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134660811
2-[5-hydroxy-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134680320
[5-(fluoromethyl)-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134660139
[5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134680161
[6-iodo-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134680765
2-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118995657
ethyl 2-[3-iodo-5-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134665864
ethyl 2-[5-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681321
[6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130089838

Frequently Asked Questions

What is the IUPAC name of [6-(fluoromethyl)-5-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The IUPAC name of [6-(fluoromethyl)-5-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol (CID 118803901) is [6-(fluoromethyl)-5-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [6-(fluoromethyl)-5-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [6-(fluoromethyl)-5-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol is OCc1cc(I)c(CF)nc1OC(F)(F)F.
What is the InChIKey of [6-(fluoromethyl)-5-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The InChIKey is NPUJKTHLKCLSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4INO2/c9-2-6-5(13)1-4(3-15)7(14-6)16-8(10,11)12/h1,15H,2-3H2.
What are the key properties of [6-(fluoromethyl)-5-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol?
[6-(fluoromethyl)-5-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol has a molecular weight of 351.04 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 [6-(fluoromethyl)-5-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 118803901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).