6-methyl-2-nitro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine

C13H8F3N3O5 — CID 2800218

IUPAC6-methyl-2-nitro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
SMILESCc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c([N+](=O)[O-])n1
InChIInChI=1S/C13H8F3N3O5/c1-7-2-4-11(12(17-7)19(22)23)24-10-5-3-8(13(14,15)16)6-9(10)18(20)21/h2-6H,1H3
InChIKeyWTRKIIZDCHXICQ-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.02
Rot. Bonds4

About 6-methyl-2-nitro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine

6-methyl-2-nitro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine (PubChem CID 2800218) has the molecular formula C13H8F3N3O5 and a molecular weight of 343.22 g/mol. Its IUPAC name is 6-methyl-2-nitro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine.

Molecular Properties

Compound Name6-methyl-2-nitro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
PubChem CID2800218
Molecular FormulaC13H8F3N3O5
Molecular Weight343.22 g/mol
Exact Mass343.04
IUPAC Name6-methyl-2-nitro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
SMILESCc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c([N+](=O)[O-])n1
InChIInChI=1S/C13H8F3N3O5/c1-7-2-4-11(12(17-7)19(22)23)24-10-5-3-8(13(14,15)16)6-9(10)18(20)21/h2-6H,1H3
InChIKeyWTRKIIZDCHXICQ-UHFFFAOYSA-N
XLogP4.02
TPSA108.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-methyl-2-nitro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-nitro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine?
The IUPAC name of 6-methyl-2-nitro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine (CID 2800218) is 6-methyl-2-nitro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine.
What is the SMILES notation for 6-methyl-2-nitro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine?
The canonical SMILES for 6-methyl-2-nitro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine is Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c([N+](=O)[O-])n1.
What is the InChIKey of 6-methyl-2-nitro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine?
The InChIKey is WTRKIIZDCHXICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O5/c1-7-2-4-11(12(17-7)19(22)23)24-10-5-3-8(13(14,15)16)6-9(10)18(20)21/h2-6H,1H3.
What are the key properties of 6-methyl-2-nitro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine?
6-methyl-2-nitro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine has a molecular weight of 343.22 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-nitro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine is sourced from PubChem (CID 2800218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).