[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol

C8H4F6INO2 — CID 134677424

IUPAC[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
SMILESOCc1cc(I)nc(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H4F6INO2/c9-7(10,11)6-5(18-8(12,13)14)3(2-17)1-4(15)16-6/h1,17H,2H2
InChIKeyMGFLTAGHYSXBSG-UHFFFAOYSA-N
MW387.02 g/mol
LogP3.10
Rot. Bonds2

About [6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol

[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 134677424) has the molecular formula C8H4F6INO2 and a molecular weight of 387.02 g/mol. Its IUPAC name is [6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
PubChem CID134677424
Molecular FormulaC8H4F6INO2
Molecular Weight387.02 g/mol
Exact Mass386.92
IUPAC Name[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
SMILESOCc1cc(I)nc(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H4F6INO2/c9-7(10,11)6-5(18-8(12,13)14)3(2-17)1-4(15)16-6/h1,17H,2H2
InChIKeyMGFLTAGHYSXBSG-UHFFFAOYSA-N
XLogP3.10
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.02
LogP ≤ 53.10
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-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 134666814
[6-iodo-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134680765
2-[4-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134682200
[2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 133085817
[2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol
CID 134662303
[2-fluoro-5-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 134662814
[5-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 134677431
2-[6-(chloromethyl)-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 134676110
2-[4-iodo-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118850021
2-[4-(chloromethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118835497
[4-(chloromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130113258
[4-iodo-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130112958

Frequently Asked Questions

What is the IUPAC name of [6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol (CID 134677424) is [6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol is OCc1cc(I)nc(C(F)(F)F)c1OC(F)(F)F.
What is the InChIKey of [6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol?
The InChIKey is MGFLTAGHYSXBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6INO2/c9-7(10,11)6-5(18-8(12,13)14)3(2-17)1-4(15)16-6/h1,17H,2H2.
What are the key properties of [6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol?
[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol has a molecular weight of 387.02 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 134677424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).