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

C8H5F5INO — CID 130087709

IUPAC[3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1ncc(I)c(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H5F5INO/c9-7(10)5-4(2-16)15-1-3(14)6(5)8(11,12)13/h1,7,16H,2H2
InChIKeyVVEWQTGWUQEPTN-UHFFFAOYSA-N
MW353.03 g/mol
LogP3.13
Rot. Bonds2

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

[3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 130087709) has the molecular formula C8H5F5INO and a molecular weight of 353.03 g/mol. Its IUPAC name is [3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID130087709
Molecular FormulaC8H5F5INO
Molecular Weight353.03 g/mol
Exact Mass352.93
IUPAC Name[3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1ncc(I)c(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H5F5INO/c9-7(10)5-4(2-16)15-1-3(14)6(5)8(11,12)13/h1,7,16H,2H2
InChIKeyVVEWQTGWUQEPTN-UHFFFAOYSA-N
XLogP3.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.03
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[5-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 130070839
2-(chloromethyl)-4-(difluoromethyl)-5-iodo-3-(trifluoromethyl)pyridine
CID 118804340
[4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 118824248
[4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 118851075
[2-(aminomethyl)-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118820101
3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 119017060
4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
CID 130077521
[3-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 130107745
[4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118851542
[4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134672695
5-(difluoromethyl)-4-fluoro-6-(hydroxymethyl)pyridin-3-ol
CID 130079587
[2-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118837003

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanol (CID 130087709) is [3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanol is OCc1ncc(I)c(C(F)(F)F)c1C(F)F.
What is the InChIKey of [3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is VVEWQTGWUQEPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5INO/c9-7(10)5-4(2-16)15-1-3(14)6(5)8(11,12)13/h1,7,16H,2H2.
What are the key properties of [3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanol?
[3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanol has a molecular weight of 353.03 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 130087709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).