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

C7H5F3INO — CID 169442500

IUPAC4-iodo-2-(trideuteriomethoxy)-5-(trifluoromethyl)pyridine
SMILES[2H]C([2H])([2H])Oc1cc(I)c(C(F)(F)F)cn1
InChIInChI=1S/C7H5F3INO/c1-13-6-2-5(11)4(3-12-6)7(8,9)10/h2-3H,1H3/i1D3
InChIKeyRVAOTZFCDAFUIX-FIBGUPNXSA-N
MW306.04 g/mol
LogP2.71
Rot. Bonds2

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

4-iodo-2-(trideuteriomethoxy)-5-(trifluoromethyl)pyridine (PubChem CID 169442500) has the molecular formula C7H5F3INO and a molecular weight of 306.04 g/mol. Its IUPAC name is 4-iodo-2-(trideuteriomethoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-iodo-2-(trideuteriomethoxy)-5-(trifluoromethyl)pyridine
PubChem CID169442500
Molecular FormulaC7H5F3INO
Molecular Weight306.04 g/mol
Exact Mass305.96
IUPAC Name4-iodo-2-(trideuteriomethoxy)-5-(trifluoromethyl)pyridine
SMILES[2H]C([2H])([2H])Oc1cc(I)c(C(F)(F)F)cn1
InChIInChI=1S/C7H5F3INO/c1-13-6-2-5(11)4(3-12-6)7(8,9)10/h2-3H,1H3/i1D3
InChIKeyRVAOTZFCDAFUIX-FIBGUPNXSA-N
XLogP2.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.04
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 4-iodo-2-(trideuteriomethoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 4-iodo-2-(trideuteriomethoxy)-5-(trifluoromethyl)pyridine (CID 169442500) is 4-iodo-2-(trideuteriomethoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-iodo-2-(trideuteriomethoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 4-iodo-2-(trideuteriomethoxy)-5-(trifluoromethyl)pyridine is [2H]C([2H])([2H])Oc1cc(I)c(C(F)(F)F)cn1.
What is the InChIKey of 4-iodo-2-(trideuteriomethoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is RVAOTZFCDAFUIX-FIBGUPNXSA-N. The full InChI is InChI=1S/C7H5F3INO/c1-13-6-2-5(11)4(3-12-6)7(8,9)10/h2-3H,1H3/i1D3.
What are the key properties of 4-iodo-2-(trideuteriomethoxy)-5-(trifluoromethyl)pyridine?
4-iodo-2-(trideuteriomethoxy)-5-(trifluoromethyl)pyridine has a molecular weight of 306.04 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-(trideuteriomethoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 169442500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).