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

C7H5F3INO2 — CID 130092556

IUPAC[4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESOCc1c(I)ccnc1OC(F)(F)F
InChIInChI=1S/C7H5F3INO2/c8-7(9,10)14-6-4(3-13)5(11)1-2-12-6/h1-2,13H,3H2
InChIKeyQMSOHKZDGZIASE-UHFFFAOYSA-N
MW319.02 g/mol
LogP2.08
Rot. Bonds2

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

[4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol (PubChem CID 130092556) has the molecular formula C7H5F3INO2 and a molecular weight of 319.02 g/mol. Its IUPAC name is [4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
PubChem CID130092556
Molecular FormulaC7H5F3INO2
Molecular Weight319.02 g/mol
Exact Mass318.93
IUPAC Name[4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESOCc1c(I)ccnc1OC(F)(F)F
InChIInChI=1S/C7H5F3INO2/c8-7(9,10)14-6-4(3-13)5(11)1-2-12-6/h1-2,13H,3H2
InChIKeyQMSOHKZDGZIASE-UHFFFAOYSA-N
XLogP2.08
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.02
LogP ≤ 52.08
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

[4-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130093342
2-[4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 130092527
4-iodo-2-methoxy-3-(trifluoromethoxy)pyridine
CID 118833057
[5-iodo-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134676231
[4-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089738
[4-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118829537
[2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118815229
[2-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118837393
[4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112707
4-iodo-3-(trifluoromethoxy)pyridin-2-amine
CID 119014421
3-bromo-2-(trifluoromethoxy)pyridin-4-amine
CID 130088966
[5-(chloromethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 134671793

Frequently Asked Questions

What is the IUPAC name of [4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The IUPAC name of [4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol (CID 130092556) is [4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol is OCc1c(I)ccnc1OC(F)(F)F.
What is the InChIKey of [4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The InChIKey is QMSOHKZDGZIASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3INO2/c8-7(9,10)14-6-4(3-13)5(11)1-2-12-6/h1-2,13H,3H2.
What are the key properties of [4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol?
[4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol has a molecular weight of 319.02 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 130092556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).