4-methyl-5-nitro-2-(trifluoromethoxy)pyridine;4-methyl-5-nitro-2-(trifluoromethyl)pyridine

C14H10F6N4O5 — CID 175603764

IUPAC4-methyl-5-nitro-2-(trifluoromethoxy)pyridine;4-methyl-5-nitro-2-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)ncc1[N+](=O)[O-].Cc1cc(OC(F)(F)F)ncc1[N+](=O)[O-]
InChIInChI=1S/C7H5F3N2O3.C7H5F3N2O2/c1-4-2-6(15-7(8,9)10)11-3-5(4)12(13)14;1-4-2-6(7(8,9)10)11-3-5(4)12(13)14/h2-3H,1H3;2-3H,1H3
InChIKeyMNEXTCDEPGTIFS-UHFFFAOYSA-N
MW428.25 g/mol
LogP4.51
Rot. Bonds3

About 4-methyl-5-nitro-2-(trifluoromethoxy)pyridine;4-methyl-5-nitro-2-(trifluoromethyl)pyridine

4-methyl-5-nitro-2-(trifluoromethoxy)pyridine;4-methyl-5-nitro-2-(trifluoromethyl)pyridine (PubChem CID 175603764) has the molecular formula C14H10F6N4O5 and a molecular weight of 428.25 g/mol. Its IUPAC name is 4-methyl-5-nitro-2-(trifluoromethoxy)pyridine;4-methyl-5-nitro-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-methyl-5-nitro-2-(trifluoromethoxy)pyridine;4-methyl-5-nitro-2-(trifluoromethyl)pyridine
PubChem CID175603764
Molecular FormulaC14H10F6N4O5
Molecular Weight428.25 g/mol
Exact Mass428.06
IUPAC Name4-methyl-5-nitro-2-(trifluoromethoxy)pyridine;4-methyl-5-nitro-2-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)ncc1[N+](=O)[O-].Cc1cc(OC(F)(F)F)ncc1[N+](=O)[O-]
InChIInChI=1S/C7H5F3N2O3.C7H5F3N2O2/c1-4-2-6(15-7(8,9)10)11-3-5(4)12(13)14;1-4-2-6(7(8,9)10)11-3-5(4)12(13)14/h2-3H,1H3;2-3H,1H3
InChIKeyMNEXTCDEPGTIFS-UHFFFAOYSA-N
XLogP4.51
TPSA121.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.25
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 4-methyl-5-nitro-2-(trifluoromethoxy)pyridine;4-methyl-5-nitro-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-methyl-5-nitro-2-(trifluoromethoxy)pyridine;4-methyl-5-nitro-2-(trifluoromethyl)pyridine (CID 175603764) is 4-methyl-5-nitro-2-(trifluoromethoxy)pyridine;4-methyl-5-nitro-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-methyl-5-nitro-2-(trifluoromethoxy)pyridine;4-methyl-5-nitro-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-methyl-5-nitro-2-(trifluoromethoxy)pyridine;4-methyl-5-nitro-2-(trifluoromethyl)pyridine is Cc1cc(C(F)(F)F)ncc1[N+](=O)[O-].Cc1cc(OC(F)(F)F)ncc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-5-nitro-2-(trifluoromethoxy)pyridine;4-methyl-5-nitro-2-(trifluoromethyl)pyridine?
The InChIKey is MNEXTCDEPGTIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O3.C7H5F3N2O2/c1-4-2-6(15-7(8,9)10)11-3-5(4)12(13)14;1-4-2-6(7(8,9)10)11-3-5(4)12(13)14/h2-3H,1H3;2-3H,1H3.
What are the key properties of 4-methyl-5-nitro-2-(trifluoromethoxy)pyridine;4-methyl-5-nitro-2-(trifluoromethyl)pyridine?
4-methyl-5-nitro-2-(trifluoromethoxy)pyridine;4-methyl-5-nitro-2-(trifluoromethyl)pyridine has a molecular weight of 428.25 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nitro-2-(trifluoromethoxy)pyridine;4-methyl-5-nitro-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 175603764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).