2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine

C8H7F3INO2 — CID 130112546

IUPAC2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
SMILESCOc1cnc(I)c(C)c1OC(F)(F)F
InChIInChI=1S/C8H7F3INO2/c1-4-6(15-8(9,10)11)5(14-2)3-13-7(4)12/h3H,1-2H3
InChIKeyNQKPVBCAIIBTGW-UHFFFAOYSA-N
MW333.05 g/mol
LogP2.90
Rot. Bonds2

About 2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine

2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine (PubChem CID 130112546) has the molecular formula C8H7F3INO2 and a molecular weight of 333.05 g/mol. Its IUPAC name is 2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
PubChem CID130112546
Molecular FormulaC8H7F3INO2
Molecular Weight333.05 g/mol
Exact Mass332.95
IUPAC Name2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
SMILESCOc1cnc(I)c(C)c1OC(F)(F)F
InChIInChI=1S/C8H7F3INO2/c1-4-6(15-8(9,10)11)5(14-2)3-13-7(4)12/h3H,1-2H3
InChIKeyNQKPVBCAIIBTGW-UHFFFAOYSA-N
XLogP2.90
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.05
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine 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-3-methoxy-4-methyl-5-(trifluoromethoxy)pyridine
CID 130112538
6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol
CID 130111106
4-(fluoromethyl)-2-iodo-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118801343
2-(bromomethyl)-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 130113320
6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130112973
[3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666948
methyl 2-[2-iodo-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134661473
2-iodo-4-methoxy-6-methyl-3-(trifluoromethoxy)pyridine
CID 130112544
3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine
CID 134679652
3-(chloromethyl)-5-methoxy-2-methyl-4-(trifluoromethoxy)pyridine
CID 130113393
2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 130113015
3-(bromomethyl)-5-methoxy-2-methyl-4-(trifluoromethoxy)pyridine
CID 130113341

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine?
The IUPAC name of 2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine (CID 130112546) is 2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine is COc1cnc(I)c(C)c1OC(F)(F)F.
What is the InChIKey of 2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine?
The InChIKey is NQKPVBCAIIBTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3INO2/c1-4-6(15-8(9,10)11)5(14-2)3-13-7(4)12/h3H,1-2H3.
What are the key properties of 2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine?
2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine has a molecular weight of 333.05 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130112546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).