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

C8H5F5INO2 — CID 118826147

IUPAC[6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESOCc1nc(C(F)F)c(I)cc1OC(F)(F)F
InChIInChI=1S/C8H5F5INO2/c9-7(10)6-3(14)1-5(4(2-16)15-6)17-8(11,12)13/h1,7,16H,2H2
InChIKeyJWGRATQVGCWVHX-UHFFFAOYSA-N
MW369.03 g/mol
LogP3.01
Rot. Bonds3

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

[6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol (PubChem CID 118826147) has the molecular formula C8H5F5INO2 and a molecular weight of 369.03 g/mol. Its IUPAC name is [6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
PubChem CID118826147
Molecular FormulaC8H5F5INO2
Molecular Weight369.03 g/mol
Exact Mass368.93
IUPAC Name[6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESOCc1nc(C(F)F)c(I)cc1OC(F)(F)F
InChIInChI=1S/C8H5F5INO2/c9-7(10)6-3(14)1-5(4(2-16)15-6)17-8(11,12)13/h1,7,16H,2H2
InChIKeyJWGRATQVGCWVHX-UHFFFAOYSA-N
XLogP3.01
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.03
LogP ≤ 53.01
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

2-(bromomethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine
CID 118838243
[6-(difluoromethyl)-3-fluoro-5-iodo-2-pyridinyl]methanol
CID 118854432
[5-(fluoromethyl)-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134660139
[6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 119008282
6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118842664
methyl 2-[6-(bromomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134663640
2-[6-(bromomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118838119
[2-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118837393
[5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134678874
methyl 2-[2-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668956
2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134681322
[5-fluoro-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 134680686

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol?
The IUPAC name of [6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol (CID 118826147) is [6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol is OCc1nc(C(F)F)c(I)cc1OC(F)(F)F.
What is the InChIKey of [6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol?
The InChIKey is JWGRATQVGCWVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5INO2/c9-7(10)6-3(14)1-5(4(2-16)15-6)17-8(11,12)13/h1,7,16H,2H2.
What are the key properties of [6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol?
[6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol has a molecular weight of 369.03 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 118826147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).