6-methyl-3-nitro-2,4-bis(2,2,2-trifluoroethoxy)pyridine

C10H8F6N2O4 — CID 23092420

IUPAC6-methyl-3-nitro-2,4-bis(2,2,2-trifluoroethoxy)pyridine
SMILESCc1cc(OCC(F)(F)F)c([N+](=O)[O-])c(OCC(F)(F)F)n1
InChIInChI=1S/C10H8F6N2O4/c1-5-2-6(21-3-9(11,12)13)7(18(19)20)8(17-5)22-4-10(14,15)16/h2H,3-4H2,1H3
InChIKeyUWZOAJKKXKXEKU-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.18
Rot. Bonds5

About 6-methyl-3-nitro-2,4-bis(2,2,2-trifluoroethoxy)pyridine

6-methyl-3-nitro-2,4-bis(2,2,2-trifluoroethoxy)pyridine (PubChem CID 23092420) has the molecular formula C10H8F6N2O4 and a molecular weight of 334.17 g/mol. Its IUPAC name is 6-methyl-3-nitro-2,4-bis(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name6-methyl-3-nitro-2,4-bis(2,2,2-trifluoroethoxy)pyridine
PubChem CID23092420
Molecular FormulaC10H8F6N2O4
Molecular Weight334.17 g/mol
Exact Mass334.04
IUPAC Name6-methyl-3-nitro-2,4-bis(2,2,2-trifluoroethoxy)pyridine
SMILESCc1cc(OCC(F)(F)F)c([N+](=O)[O-])c(OCC(F)(F)F)n1
InChIInChI=1S/C10H8F6N2O4/c1-5-2-6(21-3-9(11,12)13)7(18(19)20)8(17-5)22-4-10(14,15)16/h2H,3-4H2,1H3
InChIKeyUWZOAJKKXKXEKU-UHFFFAOYSA-N
XLogP3.18
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-nitro-2,4-bis(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 6-methyl-3-nitro-2,4-bis(2,2,2-trifluoroethoxy)pyridine (CID 23092420) is 6-methyl-3-nitro-2,4-bis(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 6-methyl-3-nitro-2,4-bis(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 6-methyl-3-nitro-2,4-bis(2,2,2-trifluoroethoxy)pyridine is Cc1cc(OCC(F)(F)F)c([N+](=O)[O-])c(OCC(F)(F)F)n1.
What is the InChIKey of 6-methyl-3-nitro-2,4-bis(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is UWZOAJKKXKXEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6N2O4/c1-5-2-6(21-3-9(11,12)13)7(18(19)20)8(17-5)22-4-10(14,15)16/h2H,3-4H2,1H3.
What are the key properties of 6-methyl-3-nitro-2,4-bis(2,2,2-trifluoroethoxy)pyridine?
6-methyl-3-nitro-2,4-bis(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 334.17 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-nitro-2,4-bis(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 23092420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).