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

C9H7F3INO3 — CID 134660201

IUPACmethyl 5-iodo-4-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1c(OC(F)(F)F)ncc(I)c1C
InChIInChI=1S/C9H7F3INO3/c1-4-5(13)3-14-7(17-9(10,11)12)6(4)8(15)16-2/h3H,1-2H3
InChIKeyBOVUTUMLPLJFBB-UHFFFAOYSA-N
MW361.06 g/mol
LogP2.68
Rot. Bonds2

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

methyl 5-iodo-4-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate (PubChem CID 134660201) has the molecular formula C9H7F3INO3 and a molecular weight of 361.06 g/mol. Its IUPAC name is methyl 5-iodo-4-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-iodo-4-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate
PubChem CID134660201
Molecular FormulaC9H7F3INO3
Molecular Weight361.06 g/mol
Exact Mass360.94
IUPAC Namemethyl 5-iodo-4-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1c(OC(F)(F)F)ncc(I)c1C
InChIInChI=1S/C9H7F3INO3/c1-4-5(13)3-14-7(17-9(10,11)12)6(4)8(15)16-2/h3H,1-2H3
InChIKeyBOVUTUMLPLJFBB-UHFFFAOYSA-N
XLogP2.68
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.06
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 5-iodo-4-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate 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

methyl 2-iodo-4-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134679080
methyl 4-iodo-5-nitro-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134664737
methyl 5-(difluoromethyl)-4-fluoro-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677546
methyl 3-iodo-2-methyl-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134666957
5-iodo-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134669439
methyl 4-(chloromethyl)-5-fluoro-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134659635
methyl 2-(chloromethyl)-5-iodo-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134660298
methyl 4-amino-5-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 133097092
5-iodo-3-methyl-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134666162
5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine
CID 134666993
5-iodo-3-methyl-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 130113000
methyl 5-iodo-6-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134664730

Frequently Asked Questions

What is the IUPAC name of methyl 5-iodo-4-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate?
The IUPAC name of methyl 5-iodo-4-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate (CID 134660201) is methyl 5-iodo-4-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-iodo-4-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-iodo-4-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate is COC(=O)c1c(OC(F)(F)F)ncc(I)c1C.
What is the InChIKey of methyl 5-iodo-4-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate?
The InChIKey is BOVUTUMLPLJFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3INO3/c1-4-5(13)3-14-7(17-9(10,11)12)6(4)8(15)16-2/h3H,1-2H3.
What are the key properties of methyl 5-iodo-4-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate?
methyl 5-iodo-4-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate has a molecular weight of 361.06 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-iodo-4-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 134660201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).