4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-3-ol

C7H3F5INO2 — CID 118823942

IUPAC4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-3-ol
SMILESOc1c(C(F)F)cc(OC(F)(F)F)nc1I
InChIInChI=1S/C7H3F5INO2/c8-5(9)2-1-3(16-7(10,11)12)14-6(13)4(2)15/h1,5,15H
InChIKeyWJFXIVRNBNNCKF-UHFFFAOYSA-N
MW355.00 g/mol
LogP3.23
Rot. Bonds2

About 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-3-ol

4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-3-ol (PubChem CID 118823942) has the molecular formula C7H3F5INO2 and a molecular weight of 355.00 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-3-ol.

Molecular Properties

Compound Name4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-3-ol
PubChem CID118823942
Molecular FormulaC7H3F5INO2
Molecular Weight355.00 g/mol
Exact Mass354.91
IUPAC Name4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-3-ol
SMILESOc1c(C(F)F)cc(OC(F)(F)F)nc1I
InChIInChI=1S/C7H3F5INO2/c8-5(9)2-1-3(16-7(10,11)12)14-6(13)4(2)15/h1,5,15H
InChIKeyWJFXIVRNBNNCKF-UHFFFAOYSA-N
XLogP3.23
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.00
LogP ≤ 53.23
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

4-(difluoromethyl)-3-fluoro-2-iodo-6-(trifluoromethoxy)pyridine
CID 118851432
4-(difluoromethyl)-2-iodo-6-methoxypyridin-3-ol
CID 118852158
4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine
CID 118823728
4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118851687
4-(difluoromethyl)-2-fluoro-3-iodo-6-(trifluoromethoxy)pyridine
CID 118812829
ethyl 4-(difluoromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134660628
ethyl 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677344
3-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine
CID 118823436
4-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118828825
4-(difluoromethyl)-3-fluoro-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134665522
3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine
CID 119022211
2-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol
CID 118799496

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-3-ol?
The IUPAC name of 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-3-ol (CID 118823942) is 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-3-ol.
What is the SMILES notation for 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-3-ol?
The canonical SMILES for 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-3-ol is Oc1c(C(F)F)cc(OC(F)(F)F)nc1I.
What is the InChIKey of 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-3-ol?
The InChIKey is WJFXIVRNBNNCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5INO2/c8-5(9)2-1-3(16-7(10,11)12)14-6(13)4(2)15/h1,5,15H.
What are the key properties of 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-3-ol?
4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-3-ol has a molecular weight of 355.00 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-3-ol is sourced from PubChem (CID 118823942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).