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

C7H4F4N2O3 — CID 161358659

IUPAC3-fluoro-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine
SMILESO=[N+]([O-])c1cnc(OCC(F)(F)F)c(F)c1
InChIInChI=1S/C7H4F4N2O3/c8-5-1-4(13(14)15)2-12-6(5)16-3-7(9,10)11/h1-2H,3H2
InChIKeyPSYXNQJFXCKILQ-UHFFFAOYSA-N
MW240.11 g/mol
LogP2.07
Rot. Bonds3

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

3-fluoro-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 161358659) has the molecular formula C7H4F4N2O3 and a molecular weight of 240.11 g/mol. Its IUPAC name is 3-fluoro-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name3-fluoro-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine
PubChem CID161358659
Molecular FormulaC7H4F4N2O3
Molecular Weight240.11 g/mol
Exact Mass240.02
IUPAC Name3-fluoro-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine
SMILESO=[N+]([O-])c1cnc(OCC(F)(F)F)c(F)c1
InChIInChI=1S/C7H4F4N2O3/c8-5-1-4(13(14)15)2-12-6(5)16-3-7(9,10)11/h1-2H,3H2
InChIKeyPSYXNQJFXCKILQ-UHFFFAOYSA-N
XLogP2.07
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.11
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine
CID 53407765
2-cyclohexyloxy-3-fluoro-5-nitropyridine
CID 176696407
1-fluoro-3-nitro-5-(2,2,2-trifluoroethoxy)benzene
CID 80753207
N'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
CID 103470634
2-fluoro-3-iodo-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine
CID 155234464
5-nitro-2-(trifluoromethyl)pyridine-3-thiol
CID 130923500
N-[[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 151677049
1,3-difluoro-5-nitro-2-(trifluoromethyl)benzene
CID 57432868
2-bromo-5-nitro-3-(trifluoromethyl)pyridine
CID 53486350
1-methyl-4-nitro-2-(2,2,2-trifluoroethoxy)benzene
CID 18700159
5-nitro-2,4-bis(2,2,2-trifluoroethoxy)pyridine
CID 12868380
2-(chloromethyl)-5-nitro-3-(trifluoromethyl)pyridine
CID 131500572

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 3-fluoro-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine (CID 161358659) is 3-fluoro-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 3-fluoro-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 3-fluoro-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine is O=[N+]([O-])c1cnc(OCC(F)(F)F)c(F)c1.
What is the InChIKey of 3-fluoro-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is PSYXNQJFXCKILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4N2O3/c8-5-1-4(13(14)15)2-12-6(5)16-3-7(9,10)11/h1-2H,3H2.
What are the key properties of 3-fluoro-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine?
3-fluoro-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 240.11 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 161358659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).