3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine

C7H4F3IN2O4 — CID 134679652

IUPAC3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine
SMILESCOc1cnc([N+](=O)[O-])c(I)c1OC(F)(F)F
InChIInChI=1S/C7H4F3IN2O4/c1-16-3-2-12-6(13(14)15)4(11)5(3)17-7(8,9)10/h2H,1H3
InChIKeyKRQGKPXTESWUCD-UHFFFAOYSA-N
MW364.02 g/mol
LogP2.50
Rot. Bonds3

About 3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine

3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine (PubChem CID 134679652) has the molecular formula C7H4F3IN2O4 and a molecular weight of 364.02 g/mol. Its IUPAC name is 3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine
PubChem CID134679652
Molecular FormulaC7H4F3IN2O4
Molecular Weight364.02 g/mol
Exact Mass363.92
IUPAC Name3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine
SMILESCOc1cnc([N+](=O)[O-])c(I)c1OC(F)(F)F
InChIInChI=1S/C7H4F3IN2O4/c1-16-3-2-12-6(13(14)15)4(11)5(3)17-7(8,9)10/h2H,1H3
InChIKeyKRQGKPXTESWUCD-UHFFFAOYSA-N
XLogP2.50
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.02
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

methyl 5-iodo-6-nitro-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134666780
3-methoxy-4-methyl-2-nitro-5-(trifluoromethoxy)pyridine
CID 134666045
ethyl 5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134670328
6-iodo-4-methoxy-2-nitro-3-(trifluoromethoxy)pyridine
CID 134680699
[4-methoxy-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134677550
[3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666948
4-iodo-2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine
CID 134678852
2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 130112546
5-(difluoromethyl)-3-fluoro-2-nitro-4-(trifluoromethoxy)pyridine
CID 134659642
5-iodo-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134676264
6-(chloromethyl)-4-methoxy-2-nitro-3-(trifluoromethoxy)pyridine
CID 134660622
methyl 2-[5-methoxy-3-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134668265

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine?
The IUPAC name of 3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine (CID 134679652) is 3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine is COc1cnc([N+](=O)[O-])c(I)c1OC(F)(F)F.
What is the InChIKey of 3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine?
The InChIKey is KRQGKPXTESWUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3IN2O4/c1-16-3-2-12-6(13(14)15)4(11)5(3)17-7(8,9)10/h2H,1H3.
What are the key properties of 3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine?
3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine has a molecular weight of 364.02 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134679652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).