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

C7H5F3INO — CID 130080196

IUPAC[3-(difluoromethyl)-5-fluoro-6-iodo-2-pyridinyl]methanol
SMILESOCc1nc(I)c(F)cc1C(F)F
InChIInChI=1S/C7H5F3INO/c8-4-1-3(6(9)10)5(2-13)12-7(4)11/h1,6,13H,2H2
InChIKeyQJOZJBILOOQTAO-UHFFFAOYSA-N
MW303.02 g/mol
LogP2.26
Rot. Bonds2

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

[3-(difluoromethyl)-5-fluoro-6-iodo-2-pyridinyl]methanol (PubChem CID 130080196) has the molecular formula C7H5F3INO and a molecular weight of 303.02 g/mol. Its IUPAC name is [3-(difluoromethyl)-5-fluoro-6-iodo-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(difluoromethyl)-5-fluoro-6-iodo-2-pyridinyl]methanol
PubChem CID130080196
Molecular FormulaC7H5F3INO
Molecular Weight303.02 g/mol
Exact Mass302.94
IUPAC Name[3-(difluoromethyl)-5-fluoro-6-iodo-2-pyridinyl]methanol
SMILESOCc1nc(I)c(F)cc1C(F)F
InChIInChI=1S/C7H5F3INO/c8-4-1-3(6(9)10)5(2-13)12-7(4)11/h1,6,13H,2H2
InChIKeyQJOZJBILOOQTAO-UHFFFAOYSA-N
XLogP2.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.02
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid
CID 130080267
[6-(difluoromethyl)-3-fluoro-5-iodo-2-pyridinyl]methanol
CID 118854432
[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol
CID 118831446
[5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol
CID 130080189
[6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 130086878
[6-amino-3-(difluoromethyl)-5-methyl-2-pyridinyl]methanol
CID 119018023
[6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol
CID 130068357
[5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol
CID 130096445
[5-(difluoromethyl)-4-fluoro-2-iodo-3-pyridinyl]methanol
CID 130080191
3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130078808
[6-bromo-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol
CID 119000833
[6-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 119010445

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-5-fluoro-6-iodo-2-pyridinyl]methanol?
The IUPAC name of [3-(difluoromethyl)-5-fluoro-6-iodo-2-pyridinyl]methanol (CID 130080196) is [3-(difluoromethyl)-5-fluoro-6-iodo-2-pyridinyl]methanol.
What is the SMILES notation for [3-(difluoromethyl)-5-fluoro-6-iodo-2-pyridinyl]methanol?
The canonical SMILES for [3-(difluoromethyl)-5-fluoro-6-iodo-2-pyridinyl]methanol is OCc1nc(I)c(F)cc1C(F)F.
What is the InChIKey of [3-(difluoromethyl)-5-fluoro-6-iodo-2-pyridinyl]methanol?
The InChIKey is QJOZJBILOOQTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3INO/c8-4-1-3(6(9)10)5(2-13)12-7(4)11/h1,6,13H,2H2.
What are the key properties of [3-(difluoromethyl)-5-fluoro-6-iodo-2-pyridinyl]methanol?
[3-(difluoromethyl)-5-fluoro-6-iodo-2-pyridinyl]methanol has a molecular weight of 303.02 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-5-fluoro-6-iodo-2-pyridinyl]methanol is sourced from PubChem (CID 130080196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).