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

C7H4F3IN2O4 — CID 134678852

IUPAC4-iodo-2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine
SMILESCOc1ncc(OC(F)(F)F)c(I)c1[N+](=O)[O-]
InChIInChI=1S/C7H4F3IN2O4/c1-16-6-5(13(14)15)4(11)3(2-12-6)17-7(8,9)10/h2H,1H3
InChIKeyYLADJJWXODVLMC-UHFFFAOYSA-N
MW364.02 g/mol
LogP2.50
Rot. Bonds3

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

4-iodo-2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine (PubChem CID 134678852) has the molecular formula C7H4F3IN2O4 and a molecular weight of 364.02 g/mol. Its IUPAC name is 4-iodo-2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-iodo-2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine
PubChem CID134678852
Molecular FormulaC7H4F3IN2O4
Molecular Weight364.02 g/mol
Exact Mass363.92
IUPAC Name4-iodo-2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine
SMILESCOc1ncc(OC(F)(F)F)c(I)c1[N+](=O)[O-]
InChIInChI=1S/C7H4F3IN2O4/c1-16-6-5(13(14)15)4(11)3(2-12-6)17-7(8,9)10/h2H,1H3
InChIKeyYLADJJWXODVLMC-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

[2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134682011
[2-methoxy-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134670161
ethyl 2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134670204
3-iodo-4-nitro-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134681097
3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine
CID 134679652
ethyl 2-[4-iodo-3-nitro-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134681584
5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine
CID 134666993
5-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethoxy)pyridine
CID 134669706
6-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134670379
3-methoxy-4-methyl-2-nitro-5-(trifluoromethoxy)pyridine
CID 134666045
5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134676205
2-[3-methoxy-4-nitro-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134668919

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine?
The IUPAC name of 4-iodo-2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine (CID 134678852) is 4-iodo-2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-iodo-2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-iodo-2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine is COc1ncc(OC(F)(F)F)c(I)c1[N+](=O)[O-].
What is the InChIKey of 4-iodo-2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine?
The InChIKey is YLADJJWXODVLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3IN2O4/c1-16-6-5(13(14)15)4(11)3(2-12-6)17-7(8,9)10/h2H,1H3.
What are the key properties of 4-iodo-2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine?
4-iodo-2-methoxy-3-nitro-5-(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 4-iodo-2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134678852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).