5-iodo-4-methoxy-2-(trifluoromethyl)pyridine

C7H5F3INO — CID 121228606

IUPAC5-iodo-4-methoxy-2-(trifluoromethyl)pyridine
SMILESCOc1cc(C(F)(F)F)ncc1I
InChIInChI=1S/C7H5F3INO/c1-13-5-2-6(7(8,9)10)12-3-4(5)11/h2-3H,1H3
InChIKeyBSCFAZYQWRQFBU-UHFFFAOYSA-N
MW303.02 g/mol
LogP2.71
Rot. Bonds1

About 5-iodo-4-methoxy-2-(trifluoromethyl)pyridine

5-iodo-4-methoxy-2-(trifluoromethyl)pyridine (PubChem CID 121228606) has the molecular formula C7H5F3INO and a molecular weight of 303.02 g/mol. Its IUPAC name is 5-iodo-4-methoxy-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-iodo-4-methoxy-2-(trifluoromethyl)pyridine
PubChem CID121228606
Molecular FormulaC7H5F3INO
Molecular Weight303.02 g/mol
Exact Mass302.94
IUPAC Name5-iodo-4-methoxy-2-(trifluoromethyl)pyridine
SMILESCOc1cc(C(F)(F)F)ncc1I
InChIInChI=1S/C7H5F3INO/c1-13-5-2-6(7(8,9)10)12-3-4(5)11/h2-3H,1H3
InChIKeyBSCFAZYQWRQFBU-UHFFFAOYSA-N
XLogP2.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.02
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-methoxy-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-iodo-4-methoxy-2-(trifluoromethyl)pyridine (CID 121228606) is 5-iodo-4-methoxy-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-iodo-4-methoxy-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-iodo-4-methoxy-2-(trifluoromethyl)pyridine is COc1cc(C(F)(F)F)ncc1I.
What is the InChIKey of 5-iodo-4-methoxy-2-(trifluoromethyl)pyridine?
The InChIKey is BSCFAZYQWRQFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3INO/c1-13-5-2-6(7(8,9)10)12-3-4(5)11/h2-3H,1H3.
What are the key properties of 5-iodo-4-methoxy-2-(trifluoromethyl)pyridine?
5-iodo-4-methoxy-2-(trifluoromethyl)pyridine has a molecular weight of 303.02 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-methoxy-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 121228606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).