methyl 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate

C9H7F3INO3 — CID 134660206

IUPACmethyl 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(I)c(OC(F)(F)F)c(C)n1
InChIInChI=1S/C9H7F3INO3/c1-4-7(17-9(10,11)12)5(13)3-6(14-4)8(15)16-2/h3H,1-2H3
InChIKeyXNTNIUGAYWZBIM-UHFFFAOYSA-N
MW361.06 g/mol
LogP2.68
Rot. Bonds2

About methyl 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate

methyl 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate (PubChem CID 134660206) has the molecular formula C9H7F3INO3 and a molecular weight of 361.06 g/mol. Its IUPAC name is methyl 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
PubChem CID134660206
Molecular FormulaC9H7F3INO3
Molecular Weight361.06 g/mol
Exact Mass360.94
IUPAC Namemethyl 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(I)c(OC(F)(F)F)c(C)n1
InChIInChI=1S/C9H7F3INO3/c1-4-7(17-9(10,11)12)5(13)3-6(14-4)8(15)16-2/h3H,1-2H3
InChIKeyXNTNIUGAYWZBIM-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'}

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Related Compounds

4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 118816215
methyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134679723
methyl 5-(difluoromethyl)-4-iodo-6-methylpyridine-2-carboxylate
CID 130086289
methyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668714
[4-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118827484
methyl 5-iodo-6-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134664730
ethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134663138
methyl 4-methyl-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134682984
methyl 4-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668130
methyl 6-amino-4-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 133096930
4-iodo-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111068
methyl 2-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134659257

Frequently Asked Questions

What is the IUPAC name of methyl 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate (CID 134660206) is methyl 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate is COC(=O)c1cc(I)c(OC(F)(F)F)c(C)n1.
What is the InChIKey of methyl 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate?
The InChIKey is XNTNIUGAYWZBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3INO3/c1-4-7(17-9(10,11)12)5(13)3-6(14-4)8(15)16-2/h3H,1-2H3.
What are the key properties of methyl 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate?
methyl 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-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 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 134660206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).