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

C8H7F3INO2 — CID 130112945

IUPAC[5-iodo-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESCc1nc(OC(F)(F)F)c(CO)cc1I
InChIInChI=1S/C8H7F3INO2/c1-4-6(12)2-5(3-14)7(13-4)15-8(9,10)11/h2,14H,3H2,1H3
InChIKeyFVBUEJGPCZXEHC-UHFFFAOYSA-N
MW333.05 g/mol
LogP2.39
Rot. Bonds2

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

[5-iodo-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol (PubChem CID 130112945) has the molecular formula C8H7F3INO2 and a molecular weight of 333.05 g/mol. Its IUPAC name is [5-iodo-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-iodo-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol
PubChem CID130112945
Molecular FormulaC8H7F3INO2
Molecular Weight333.05 g/mol
Exact Mass332.95
IUPAC Name[5-iodo-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESCc1nc(OC(F)(F)F)c(CO)cc1I
InChIInChI=1S/C8H7F3INO2/c1-4-6(12)2-5(3-14)7(13-4)15-8(9,10)11/h2,14H,3H2,1H3
InChIKeyFVBUEJGPCZXEHC-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

[6-(fluoromethyl)-5-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118803901
[5-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134662929
3-chloro-5-iodo-2-methyl-6-(trifluoromethoxy)pyridine
CID 130883042
methyl 5-iodo-6-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134664730
[5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134680161
[6-iodo-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134680765
3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine
CID 130112677
[4-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118827484
2-[6-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134659895
[6-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118849345
[6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130089838
[4-iodo-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130112958

Frequently Asked Questions

What is the IUPAC name of [5-iodo-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The IUPAC name of [5-iodo-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol (CID 130112945) is [5-iodo-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [5-iodo-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [5-iodo-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol is Cc1nc(OC(F)(F)F)c(CO)cc1I.
What is the InChIKey of [5-iodo-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The InChIKey is FVBUEJGPCZXEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3INO2/c1-4-6(12)2-5(3-14)7(13-4)15-8(9,10)11/h2,14H,3H2,1H3.
What are the key properties of [5-iodo-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol?
[5-iodo-6-methyl-2-(trifluoromethoxy)-3-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-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 130112945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).