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

C8H7F3INO3 — CID 134666948

IUPAC[3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESCOc1cnc(CO)c(I)c1OC(F)(F)F
InChIInChI=1S/C8H7F3INO3/c1-15-5-2-13-4(3-14)6(12)7(5)16-8(9,10)11/h2,14H,3H2,1H3
InChIKeyVDFXFGFNEFXNMU-UHFFFAOYSA-N
MW349.05 g/mol
LogP2.09
Rot. Bonds3

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

[3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol (PubChem CID 134666948) has the molecular formula C8H7F3INO3 and a molecular weight of 349.05 g/mol. Its IUPAC name is [3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
PubChem CID134666948
Molecular FormulaC8H7F3INO3
Molecular Weight349.05 g/mol
Exact Mass348.94
IUPAC Name[3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESCOc1cnc(CO)c(I)c1OC(F)(F)F
InChIInChI=1S/C8H7F3INO3/c1-15-5-2-13-4(3-14)6(12)7(5)16-8(9,10)11/h2,14H,3H2,1H3
InChIKeyVDFXFGFNEFXNMU-UHFFFAOYSA-N
XLogP2.09
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.05
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

[4-iodo-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666294
[2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118820192
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118824029
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridin-3-amine
CID 133086232
2-(bromomethyl)-3-iodo-4-methoxy-5-(trifluoromethoxy)pyridine
CID 118815700
[5-iodo-4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 130112949
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118848308
2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 130112546
[5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134670100
2-(bromomethyl)-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 130113320
3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine
CID 134679652
[4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol
CID 130085739

Frequently Asked Questions

What is the IUPAC name of [3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol?
The IUPAC name of [3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol (CID 134666948) is [3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol is COc1cnc(CO)c(I)c1OC(F)(F)F.
What is the InChIKey of [3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol?
The InChIKey is VDFXFGFNEFXNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3INO3/c1-15-5-2-13-4(3-14)6(12)7(5)16-8(9,10)11/h2,14H,3H2,1H3.
What are the key properties of [3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol?
[3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol has a molecular weight of 349.05 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 134666948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).