[2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol

C8H5F5INO2 — CID 118815229

IUPAC[2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol
SMILESOCc1c(I)cnc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H5F5INO2/c9-7(10)5-6(17-8(11,12)13)3(2-16)4(14)1-15-5/h1,7,16H,2H2
InChIKeyYDCFQAXJLGCRHC-UHFFFAOYSA-N
MW369.03 g/mol
LogP3.01
Rot. Bonds3

About [2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol

[2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol (PubChem CID 118815229) has the molecular formula C8H5F5INO2 and a molecular weight of 369.03 g/mol. Its IUPAC name is [2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol
PubChem CID118815229
Molecular FormulaC8H5F5INO2
Molecular Weight369.03 g/mol
Exact Mass368.93
IUPAC Name[2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol
SMILESOCc1c(I)cnc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H5F5INO2/c9-7(10)5-6(17-8(11,12)13)3(2-16)4(14)1-15-5/h1,7,16H,2H2
InChIKeyYDCFQAXJLGCRHC-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-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118837393
[2-(bromomethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118843706
[2-(difluoromethyl)-5-iodo-4-methoxy-3-pyridinyl]methanol
CID 118831773
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118801499
2-(difluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118826106
[2-(difluoromethyl)-5-iodo-4-methyl-3-pyridinyl]methanol
CID 118832165
2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
CID 130077515
6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118803856
[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol
CID 118854091
[5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134670100
[2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118999909
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 134678964

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol?
The IUPAC name of [2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol (CID 118815229) is [2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol?
The canonical SMILES for [2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol is OCc1c(I)cnc(C(F)F)c1OC(F)(F)F.
What is the InChIKey of [2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol?
The InChIKey is YDCFQAXJLGCRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5INO2/c9-7(10)5-6(17-8(11,12)13)3(2-16)4(14)1-15-5/h1,7,16H,2H2.
What are the key properties of [2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol?
[2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-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 [2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 118815229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).