3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine

C7H4F3IN2O3 — CID 130112677

IUPAC3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine
SMILESCc1nc(OC(F)(F)F)c([N+](=O)[O-])cc1I
InChIInChI=1S/C7H4F3IN2O3/c1-3-4(11)2-5(13(14)15)6(12-3)16-7(8,9)10/h2H,1H3
InChIKeyCNQQOKLHBXNIMP-UHFFFAOYSA-N
MW348.02 g/mol
LogP2.80
Rot. Bonds2

About 3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine

3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine (PubChem CID 130112677) has the molecular formula C7H4F3IN2O3 and a molecular weight of 348.02 g/mol. Its IUPAC name is 3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine
PubChem CID130112677
Molecular FormulaC7H4F3IN2O3
Molecular Weight348.02 g/mol
Exact Mass347.92
IUPAC Name3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine
SMILESCc1nc(OC(F)(F)F)c([N+](=O)[O-])cc1I
InChIInChI=1S/C7H4F3IN2O3/c1-3-4(11)2-5(13(14)15)6(12-3)16-7(8,9)10/h2H,1H3
InChIKeyCNQQOKLHBXNIMP-UHFFFAOYSA-N
XLogP2.80
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.02
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine?
The IUPAC name of 3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine (CID 130112677) is 3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine is Cc1nc(OC(F)(F)F)c([N+](=O)[O-])cc1I.
What is the InChIKey of 3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine?
The InChIKey is CNQQOKLHBXNIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3IN2O3/c1-3-4(11)2-5(13(14)15)6(12-3)16-7(8,9)10/h2H,1H3.
What are the key properties of 3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine?
3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine has a molecular weight of 348.02 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130112677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).