6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol

C7H5F3INO2 — CID 130111106

IUPAC6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol
SMILESCc1c(I)ncc(O)c1OC(F)(F)F
InChIInChI=1S/C7H5F3INO2/c1-3-5(14-7(8,9)10)4(13)2-12-6(3)11/h2,13H,1H3
InChIKeyFYOVRYQMSVMWDH-UHFFFAOYSA-N
MW319.02 g/mol
LogP2.60
Rot. Bonds1

About 6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol

6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol (PubChem CID 130111106) has the molecular formula C7H5F3INO2 and a molecular weight of 319.02 g/mol. Its IUPAC name is 6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol.

Molecular Properties

Compound Name6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol
PubChem CID130111106
Molecular FormulaC7H5F3INO2
Molecular Weight319.02 g/mol
Exact Mass318.93
IUPAC Name6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol
SMILESCc1c(I)ncc(O)c1OC(F)(F)F
InChIInChI=1S/C7H5F3INO2/c1-3-5(14-7(8,9)10)4(13)2-12-6(3)11/h2,13H,1H3
InChIKeyFYOVRYQMSVMWDH-UHFFFAOYSA-N
XLogP2.60
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.02
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 130112546
6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130112973
5-hydroxy-2-iodo-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131370169
methyl 2-[5-hydroxy-2-iodo-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134659697
2-iodo-3-methoxy-4-methyl-5-(trifluoromethoxy)pyridine
CID 130112538
5-(bromomethyl)-6-methyl-4-(trifluoromethoxy)pyridin-3-ol
CID 130111911
2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 130113015
2,4,5-triiodo-3-(trifluoromethoxy)pyridine
CID 130094431
2-[5-hydroxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134680979
2-[6-iodo-4-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 130112871
[5-iodo-4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 130112949
ethyl 5-hydroxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134680335

Frequently Asked Questions

What is the IUPAC name of 6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol?
The IUPAC name of 6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol (CID 130111106) is 6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol.
What is the SMILES notation for 6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol?
The canonical SMILES for 6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol is Cc1c(I)ncc(O)c1OC(F)(F)F.
What is the InChIKey of 6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol?
The InChIKey is FYOVRYQMSVMWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3INO2/c1-3-5(14-7(8,9)10)4(13)2-12-6(3)11/h2,13H,1H3.
What are the key properties of 6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol?
6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol has a molecular weight of 319.02 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol is sourced from PubChem (CID 130111106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).