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

C8H6F4INO2 — CID 134660139

IUPAC[5-(fluoromethyl)-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESOCc1nc(I)c(CF)cc1OC(F)(F)F
InChIInChI=1S/C8H6F4INO2/c9-2-4-1-6(16-8(10,11)12)5(3-15)14-7(4)13/h1,15H,2-3H2
InChIKeyREHILPQJDJLFHW-UHFFFAOYSA-N
MW351.04 g/mol
LogP2.55
Rot. Bonds3

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

[5-(fluoromethyl)-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol (PubChem CID 134660139) has the molecular formula C8H6F4INO2 and a molecular weight of 351.04 g/mol. Its IUPAC name is [5-(fluoromethyl)-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(fluoromethyl)-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
PubChem CID134660139
Molecular FormulaC8H6F4INO2
Molecular Weight351.04 g/mol
Exact Mass350.94
IUPAC Name[5-(fluoromethyl)-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESOCc1nc(I)c(CF)cc1OC(F)(F)F
InChIInChI=1S/C8H6F4INO2/c9-2-4-1-6(16-8(10,11)12)5(3-15)14-7(4)13/h1,15H,2-3H2
InChIKeyREHILPQJDJLFHW-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118826147
3-(fluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134666917
[2-iodo-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134678950
[5-fluoro-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 134680686
methyl 6-(fluoromethyl)-2-iodo-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134661648
[2-fluoro-5-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 134662814
[6-(fluoromethyl)-5-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118803901
methyl 2-[2-(chloromethyl)-6-iodo-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134679997
[6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 119008282
[2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666898
2-[5-(fluoromethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134682687
2-[6-iodo-2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134667065

Frequently Asked Questions

What is the IUPAC name of [5-(fluoromethyl)-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol?
The IUPAC name of [5-(fluoromethyl)-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol (CID 134660139) is [5-(fluoromethyl)-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [5-(fluoromethyl)-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [5-(fluoromethyl)-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol is OCc1nc(I)c(CF)cc1OC(F)(F)F.
What is the InChIKey of [5-(fluoromethyl)-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol?
The InChIKey is REHILPQJDJLFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4INO2/c9-2-4-1-6(16-8(10,11)12)5(3-15)14-7(4)13/h1,15H,2-3H2.
What are the key properties of [5-(fluoromethyl)-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol?
[5-(fluoromethyl)-6-iodo-3-(trifluoromethoxy)-2-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 [5-(fluoromethyl)-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 134660139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).