6-ethoxy-3-iodo-2-(trifluoromethyl)pyridine

C8H7F3INO — CID 130851850

IUPAC6-ethoxy-3-iodo-2-(trifluoromethyl)pyridine
SMILESCCOc1ccc(I)c(C(F)(F)F)n1
InChIInChI=1S/C8H7F3INO/c1-2-14-6-4-3-5(12)7(13-6)8(9,10)11/h3-4H,2H2,1H3
InChIKeyPNWJSNIVCGEVPB-UHFFFAOYSA-N
MW317.05 g/mol
LogP3.10
Rot. Bonds2

About 6-ethoxy-3-iodo-2-(trifluoromethyl)pyridine

6-ethoxy-3-iodo-2-(trifluoromethyl)pyridine (PubChem CID 130851850) has the molecular formula C8H7F3INO and a molecular weight of 317.05 g/mol. Its IUPAC name is 6-ethoxy-3-iodo-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-ethoxy-3-iodo-2-(trifluoromethyl)pyridine
PubChem CID130851850
Molecular FormulaC8H7F3INO
Molecular Weight317.05 g/mol
Exact Mass316.95
IUPAC Name6-ethoxy-3-iodo-2-(trifluoromethyl)pyridine
SMILESCCOc1ccc(I)c(C(F)(F)F)n1
InChIInChI=1S/C8H7F3INO/c1-2-14-6-4-3-5(12)7(13-6)8(9,10)11/h3-4H,2H2,1H3
InChIKeyPNWJSNIVCGEVPB-UHFFFAOYSA-N
XLogP3.10
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.05
LogP ≤ 53.10
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 6-ethoxy-3-iodo-2-(trifluoromethyl)pyridine?
The IUPAC name of 6-ethoxy-3-iodo-2-(trifluoromethyl)pyridine (CID 130851850) is 6-ethoxy-3-iodo-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-ethoxy-3-iodo-2-(trifluoromethyl)pyridine?
The canonical SMILES for 6-ethoxy-3-iodo-2-(trifluoromethyl)pyridine is CCOc1ccc(I)c(C(F)(F)F)n1.
What is the InChIKey of 6-ethoxy-3-iodo-2-(trifluoromethyl)pyridine?
The InChIKey is PNWJSNIVCGEVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3INO/c1-2-14-6-4-3-5(12)7(13-6)8(9,10)11/h3-4H,2H2,1H3.
What are the key properties of 6-ethoxy-3-iodo-2-(trifluoromethyl)pyridine?
6-ethoxy-3-iodo-2-(trifluoromethyl)pyridine has a molecular weight of 317.05 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-iodo-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 130851850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).