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

C8H7F3INO2 — CID 130112949

IUPAC[5-iodo-4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESCc1c(I)cnc(CO)c1OC(F)(F)F
InChIInChI=1S/C8H7F3INO2/c1-4-5(12)2-13-6(3-14)7(4)15-8(9,10)11/h2,14H,3H2,1H3
InChIKeyRRSLXCFIARZBBS-UHFFFAOYSA-N
MW333.05 g/mol
LogP2.39
Rot. Bonds2

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

[5-iodo-4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanol (PubChem CID 130112949) has the molecular formula C8H7F3INO2 and a molecular weight of 333.05 g/mol. Its IUPAC name is [5-iodo-4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-iodo-4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanol
PubChem CID130112949
Molecular FormulaC8H7F3INO2
Molecular Weight333.05 g/mol
Exact Mass332.95
IUPAC Name[5-iodo-4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESCc1c(I)cnc(CO)c1OC(F)(F)F
InChIInChI=1S/C8H7F3INO2/c1-4-5(12)2-13-6(3-14)7(4)15-8(9,10)11/h2,14H,3H2,1H3
InChIKeyRRSLXCFIARZBBS-UHFFFAOYSA-N
XLogP2.39
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.05
LogP ≤ 52.39
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

[3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 130113156
[4-iodo-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666294
[5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134670100
[3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666948
[2-(bromomethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118843706
[4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 134669917
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118824029
[4-iodo-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130112958
methyl 2-(chloromethyl)-5-iodo-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134660298
[5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 134671563
[2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118815229
[5-iodo-6-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134660114

Frequently Asked Questions

What is the IUPAC name of [5-iodo-4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanol?
The IUPAC name of [5-iodo-4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanol (CID 130112949) is [5-iodo-4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [5-iodo-4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [5-iodo-4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanol is Cc1c(I)cnc(CO)c1OC(F)(F)F.
What is the InChIKey of [5-iodo-4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanol?
The InChIKey is RRSLXCFIARZBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3INO2/c1-4-5(12)2-13-6(3-14)7(4)15-8(9,10)11/h2,14H,3H2,1H3.
What are the key properties of [5-iodo-4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanol?
[5-iodo-4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanol has a molecular weight of 333.05 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-iodo-4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 130112949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).