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

C8H4F6INO2 — CID 134677431

IUPAC[5-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1cc(OC(F)(F)F)c(I)c(C(F)(F)F)n1
InChIInChI=1S/C8H4F6INO2/c9-7(10,11)6-5(15)4(18-8(12,13)14)1-3(2-17)16-6/h1,17H,2H2
InChIKeyGGLNQEHHTRABFY-UHFFFAOYSA-N
MW387.02 g/mol
LogP3.10
Rot. Bonds2

About [5-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol

[5-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 134677431) has the molecular formula C8H4F6INO2 and a molecular weight of 387.02 g/mol. Its IUPAC name is [5-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID134677431
Molecular FormulaC8H4F6INO2
Molecular Weight387.02 g/mol
Exact Mass386.92
IUPAC Name[5-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1cc(OC(F)(F)F)c(I)c(C(F)(F)F)n1
InChIInChI=1S/C8H4F6INO2/c9-7(10,11)6-5(15)4(18-8(12,13)14)1-3(2-17)16-6/h1,17H,2H2
InChIKeyGGLNQEHHTRABFY-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666290
[5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134665913
[2-fluoro-5-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 134662814
[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 134677424
[5-fluoro-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 134680686
3-fluoro-6-(fluoromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134680375
[4-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118827484
[3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 134670747
[6-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118831104
[6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666113
2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134681322
[3-iodo-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118820077

Frequently Asked Questions

What is the IUPAC name of [5-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [5-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol (CID 134677431) is [5-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [5-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [5-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol is OCc1cc(OC(F)(F)F)c(I)c(C(F)(F)F)n1.
What is the InChIKey of [5-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is GGLNQEHHTRABFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6INO2/c9-7(10,11)6-5(15)4(18-8(12,13)14)1-3(2-17)16-6/h1,17H,2H2.
What are the key properties of [5-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol?
[5-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-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 [5-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 134677431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).