2-[2,4-dinitro-6-(trifluoromethyl)anilino]-6-methylpyridine-3,5-dicarbonitrile

C15H7F3N6O4 — CID 14882480

IUPAC2-[2,4-dinitro-6-(trifluoromethyl)anilino]-6-methylpyridine-3,5-dicarbonitrile
SMILESCc1nc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2C(F)(F)F)c(C#N)cc1C#N
InChIInChI=1S/C15H7F3N6O4/c1-7-8(5-19)2-9(6-20)14(21-7)22-13-11(15(16,17)18)3-10(23(25)26)4-12(13)24(27)28/h2-4H,1H3,(H,21,22)
InChIKeyRWGBEAQBZAEGGY-UHFFFAOYSA-N
MW392.25 g/mol
LogP3.71
Rot. Bonds4

About 2-[2,4-dinitro-6-(trifluoromethyl)anilino]-6-methylpyridine-3,5-dicarbonitrile

2-[2,4-dinitro-6-(trifluoromethyl)anilino]-6-methylpyridine-3,5-dicarbonitrile (PubChem CID 14882480) has the molecular formula C15H7F3N6O4 and a molecular weight of 392.25 g/mol. Its IUPAC name is 2-[2,4-dinitro-6-(trifluoromethyl)anilino]-6-methylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-[2,4-dinitro-6-(trifluoromethyl)anilino]-6-methylpyridine-3,5-dicarbonitrile
PubChem CID14882480
Molecular FormulaC15H7F3N6O4
Molecular Weight392.25 g/mol
Exact Mass392.05
IUPAC Name2-[2,4-dinitro-6-(trifluoromethyl)anilino]-6-methylpyridine-3,5-dicarbonitrile
SMILESCc1nc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2C(F)(F)F)c(C#N)cc1C#N
InChIInChI=1S/C15H7F3N6O4/c1-7-8(5-19)2-9(6-20)14(21-7)22-13-11(15(16,17)18)3-10(23(25)26)4-12(13)24(27)28/h2-4H,1H3,(H,21,22)
InChIKeyRWGBEAQBZAEGGY-UHFFFAOYSA-N
XLogP3.71
TPSA158.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2,4-dinitro-6-(trifluoromethyl)anilino]-6-methylpyridine-3,5-dicarbonitrile 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 2-[2,4-dinitro-6-(trifluoromethyl)anilino]-6-methylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-[2,4-dinitro-6-(trifluoromethyl)anilino]-6-methylpyridine-3,5-dicarbonitrile (CID 14882480) is 2-[2,4-dinitro-6-(trifluoromethyl)anilino]-6-methylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-[2,4-dinitro-6-(trifluoromethyl)anilino]-6-methylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-[2,4-dinitro-6-(trifluoromethyl)anilino]-6-methylpyridine-3,5-dicarbonitrile is Cc1nc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2C(F)(F)F)c(C#N)cc1C#N.
What is the InChIKey of 2-[2,4-dinitro-6-(trifluoromethyl)anilino]-6-methylpyridine-3,5-dicarbonitrile?
The InChIKey is RWGBEAQBZAEGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F3N6O4/c1-7-8(5-19)2-9(6-20)14(21-7)22-13-11(15(16,17)18)3-10(23(25)26)4-12(13)24(27)28/h2-4H,1H3,(H,21,22).
What are the key properties of 2-[2,4-dinitro-6-(trifluoromethyl)anilino]-6-methylpyridine-3,5-dicarbonitrile?
2-[2,4-dinitro-6-(trifluoromethyl)anilino]-6-methylpyridine-3,5-dicarbonitrile has a molecular weight of 392.25 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dinitro-6-(trifluoromethyl)anilino]-6-methylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 14882480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).