2-fluoro-3-iodo-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine

C7H3F4IN2O3 — CID 155234464

IUPAC2-fluoro-3-iodo-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine
SMILESO=[N+]([O-])c1cc(I)c(F)nc1OCC(F)(F)F
InChIInChI=1S/C7H3F4IN2O3/c8-5-3(12)1-4(14(15)16)6(13-5)17-2-7(9,10)11/h1H,2H2
InChIKeyXVEUBHGUKARHCQ-UHFFFAOYSA-N
MW366.01 g/mol
LogP2.67
Rot. Bonds3

About 2-fluoro-3-iodo-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine

2-fluoro-3-iodo-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 155234464) has the molecular formula C7H3F4IN2O3 and a molecular weight of 366.01 g/mol. Its IUPAC name is 2-fluoro-3-iodo-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name2-fluoro-3-iodo-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine
PubChem CID155234464
Molecular FormulaC7H3F4IN2O3
Molecular Weight366.01 g/mol
Exact Mass365.91
IUPAC Name2-fluoro-3-iodo-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine
SMILESO=[N+]([O-])c1cc(I)c(F)nc1OCC(F)(F)F
InChIInChI=1S/C7H3F4IN2O3/c8-5-3(12)1-4(14(15)16)6(13-5)17-2-7(9,10)11/h1H,2H2
InChIKeyXVEUBHGUKARHCQ-UHFFFAOYSA-N
XLogP2.67
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.01
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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

6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine
CID 43152615
5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
CID 114403116
2-(difluoromethyl)-6-fluoro-5-iodo-3-nitropyridine
CID 118854544
3-fluoro-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine
CID 161358659
3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine
CID 130112677
N'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
CID 103470634
5-nitro-2,4-bis(2,2,2-trifluoroethoxy)pyridine
CID 12868380
3-iodo-5-nitro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134679774
2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]ethanol
CID 141419227
3-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine
CID 53407765
5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134663235
5-iodo-4-nitro-2-(trifluoromethyl)pyridine
CID 130782981

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-iodo-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 2-fluoro-3-iodo-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine (CID 155234464) is 2-fluoro-3-iodo-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 2-fluoro-3-iodo-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 2-fluoro-3-iodo-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine is O=[N+]([O-])c1cc(I)c(F)nc1OCC(F)(F)F.
What is the InChIKey of 2-fluoro-3-iodo-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is XVEUBHGUKARHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4IN2O3/c8-5-3(12)1-4(14(15)16)6(13-5)17-2-7(9,10)11/h1H,2H2.
What are the key properties of 2-fluoro-3-iodo-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine?
2-fluoro-3-iodo-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 366.01 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-iodo-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 155234464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).