3-iodo-2-methoxy-6-methyl-5-(trifluoromethoxy)pyridine

C8H7F3INO2 — CID 130112551

IUPAC3-iodo-2-methoxy-6-methyl-5-(trifluoromethoxy)pyridine
SMILESCOc1nc(C)c(OC(F)(F)F)cc1I
InChIInChI=1S/C8H7F3INO2/c1-4-6(15-8(9,10)11)3-5(12)7(13-4)14-2/h3H,1-2H3
InChIKeyAJZGTYSHDBPTDA-UHFFFAOYSA-N
MW333.05 g/mol
LogP2.90
Rot. Bonds2

About 3-iodo-2-methoxy-6-methyl-5-(trifluoromethoxy)pyridine

3-iodo-2-methoxy-6-methyl-5-(trifluoromethoxy)pyridine (PubChem CID 130112551) has the molecular formula C8H7F3INO2 and a molecular weight of 333.05 g/mol. Its IUPAC name is 3-iodo-2-methoxy-6-methyl-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-iodo-2-methoxy-6-methyl-5-(trifluoromethoxy)pyridine
PubChem CID130112551
Molecular FormulaC8H7F3INO2
Molecular Weight333.05 g/mol
Exact Mass332.95
IUPAC Name3-iodo-2-methoxy-6-methyl-5-(trifluoromethoxy)pyridine
SMILESCOc1nc(C)c(OC(F)(F)F)cc1I
InChIInChI=1S/C8H7F3INO2/c1-4-6(15-8(9,10)11)3-5(12)7(13-4)14-2/h3H,1-2H3
InChIKeyAJZGTYSHDBPTDA-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[3-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134662195
3-chloro-5-iodo-2-methyl-6-(trifluoromethoxy)pyridine
CID 130883042
6-iodo-2-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 129319241
methyl 5-iodo-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134660175
6-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonamide
CID 134679348
5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
CID 134666852
[2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666898
[5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666290
5-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131346999
6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine
CID 130089390
2-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 68904963
2-[6-iodo-2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134667065

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-methoxy-6-methyl-5-(trifluoromethoxy)pyridine?
The IUPAC name of 3-iodo-2-methoxy-6-methyl-5-(trifluoromethoxy)pyridine (CID 130112551) is 3-iodo-2-methoxy-6-methyl-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-iodo-2-methoxy-6-methyl-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-iodo-2-methoxy-6-methyl-5-(trifluoromethoxy)pyridine is COc1nc(C)c(OC(F)(F)F)cc1I.
What is the InChIKey of 3-iodo-2-methoxy-6-methyl-5-(trifluoromethoxy)pyridine?
The InChIKey is AJZGTYSHDBPTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3INO2/c1-4-6(15-8(9,10)11)3-5(12)7(13-4)14-2/h3H,1-2H3.
What are the key properties of 3-iodo-2-methoxy-6-methyl-5-(trifluoromethoxy)pyridine?
3-iodo-2-methoxy-6-methyl-5-(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 3-iodo-2-methoxy-6-methyl-5-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130112551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).