3-iodo-2-methyl-5-(trifluoromethyl)pyridine

C7H5F3IN — CID 84715472

IUPAC3-iodo-2-methyl-5-(trifluoromethyl)pyridine
SMILESCc1ncc(C(F)(F)F)cc1I
InChIInChI=1S/C7H5F3IN/c1-4-6(11)2-5(3-12-4)7(8,9)10/h2-3H,1H3
InChIKeyOXOOBEZUWWPTFX-UHFFFAOYSA-N
MW287.02 g/mol
LogP3.01
Rot. Bonds

About 3-iodo-2-methyl-5-(trifluoromethyl)pyridine

3-iodo-2-methyl-5-(trifluoromethyl)pyridine (PubChem CID 84715472) has the molecular formula C7H5F3IN and a molecular weight of 287.02 g/mol. Its IUPAC name is 3-iodo-2-methyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-iodo-2-methyl-5-(trifluoromethyl)pyridine
PubChem CID84715472
Molecular FormulaC7H5F3IN
Molecular Weight287.02 g/mol
Exact Mass286.94
IUPAC Name3-iodo-2-methyl-5-(trifluoromethyl)pyridine
SMILESCc1ncc(C(F)(F)F)cc1I
InChIInChI=1S/C7H5F3IN/c1-4-6(11)2-5(3-12-4)7(8,9)10/h2-3H,1H3
InChIKeyOXOOBEZUWWPTFX-UHFFFAOYSA-N
XLogP3.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.02
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-methyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-iodo-2-methyl-5-(trifluoromethyl)pyridine (CID 84715472) is 3-iodo-2-methyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-iodo-2-methyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-iodo-2-methyl-5-(trifluoromethyl)pyridine is Cc1ncc(C(F)(F)F)cc1I.
What is the InChIKey of 3-iodo-2-methyl-5-(trifluoromethyl)pyridine?
The InChIKey is OXOOBEZUWWPTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3IN/c1-4-6(11)2-5(3-12-4)7(8,9)10/h2-3H,1H3.
What are the key properties of 3-iodo-2-methyl-5-(trifluoromethyl)pyridine?
3-iodo-2-methyl-5-(trifluoromethyl)pyridine has a molecular weight of 287.02 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-methyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 84715472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).