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

C7H5F3INO2 — CID 118833057

IUPAC4-iodo-2-methoxy-3-(trifluoromethoxy)pyridine
SMILESCOc1nccc(I)c1OC(F)(F)F
InChIInChI=1S/C7H5F3INO2/c1-13-6-5(14-7(8,9)10)4(11)2-3-12-6/h2-3H,1H3
InChIKeyJKIZVAGILAGETP-UHFFFAOYSA-N
MW319.02 g/mol
LogP2.59
Rot. Bonds2

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

4-iodo-2-methoxy-3-(trifluoromethoxy)pyridine (PubChem CID 118833057) has the molecular formula C7H5F3INO2 and a molecular weight of 319.02 g/mol. Its IUPAC name is 4-iodo-2-methoxy-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-iodo-2-methoxy-3-(trifluoromethoxy)pyridine
PubChem CID118833057
Molecular FormulaC7H5F3INO2
Molecular Weight319.02 g/mol
Exact Mass318.93
IUPAC Name4-iodo-2-methoxy-3-(trifluoromethoxy)pyridine
SMILESCOc1nccc(I)c1OC(F)(F)F
InChIInChI=1S/C7H5F3INO2/c1-13-6-5(14-7(8,9)10)4(11)2-3-12-6/h2-3H,1H3
InChIKeyJKIZVAGILAGETP-UHFFFAOYSA-N
XLogP2.59
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.02
LogP ≤ 52.59
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

4-iodo-3-(trifluoromethoxy)pyridin-2-amine
CID 119014421
4-(difluoromethyl)-5-iodo-2-methoxy-3-(trifluoromethoxy)pyridine
CID 118840777
2-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 68904963
3-chloro-2-methoxy-4-(trifluoromethoxy)pyridine
CID 130089712
[4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130092556
1,3-diiodo-2-(trifluoromethoxy)benzene
CID 151510849
2-[4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 130092527
2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 130112546
5-iodo-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134680470
5-iodo-3-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134666954
methyl 2-[4-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134660761
[5-iodo-6-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134660114

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-methoxy-3-(trifluoromethoxy)pyridine?
The IUPAC name of 4-iodo-2-methoxy-3-(trifluoromethoxy)pyridine (CID 118833057) is 4-iodo-2-methoxy-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-iodo-2-methoxy-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-iodo-2-methoxy-3-(trifluoromethoxy)pyridine is COc1nccc(I)c1OC(F)(F)F.
What is the InChIKey of 4-iodo-2-methoxy-3-(trifluoromethoxy)pyridine?
The InChIKey is JKIZVAGILAGETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3INO2/c1-13-6-5(14-7(8,9)10)4(11)2-3-12-6/h2-3H,1H3.
What are the key properties of 4-iodo-2-methoxy-3-(trifluoromethoxy)pyridine?
4-iodo-2-methoxy-3-(trifluoromethoxy)pyridine has a molecular weight of 319.02 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-methoxy-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118833057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).