5-chloro-3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;N,3-dimethyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-amine;5-N,3-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5,6-diamine;4-hydroxy-3-methyl-6-nitro-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridin-4-ium;methane;2-N-methyl-5-nitropyridine-2,3-diamine;3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid

C54H60ClF18N26O13+ — CID 159250566

About 5-chloro-3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;N,3-dimethyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-amine;5-N,3-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5,6-diamine;4-hydroxy-3-methyl-6-nitro-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridin-4-ium;methane;2-N-methyl-5-nitropyridine-2,3-diamine;3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid

5-chloro-3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;N,3-dimethyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-amine;5-N,3-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5,6-diamine;4-hydroxy-3-methyl-6-nitro-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridin-4-ium;methane;2-N-methyl-5-nitropyridine-2,3-diamine;3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 159250566) has the molecular formula C54H60ClF18N26O13+ and a molecular weight of 1658.66 g/mol. Its IUPAC name is 5-chloro-3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;N,3-dimethyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-amine;5-N,3-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5,6-diamine;4-hydroxy-3-methyl-6-nitro-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridin-4-ium;methane;2-N-methyl-5-nitropyridine-2,3-diamine;3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 5-chloro-3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;N,3-dimethyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-amine;5-N,3-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5,6-diamine;4-hydroxy-3-methyl-6-nitro-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridin-4-ium;methane;2-N-methyl-5-nitropyridine-2,3-diamine;3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
• PubChem CID: 159250566
• Molecular Formula: C54H60ClF18N26O13+
• Molecular Weight: 1658.66 g/mol
• Exact Mass: 1657.42
• IUPAC Name: 5-chloro-3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;N,3-dimethyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-amine;5-N,3-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5,6-diamine;4-hydroxy-3-methyl-6-nitro-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridin-4-ium;methane;2-N-methyl-5-nitropyridine-2,3-diamine;3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
• SMILES: C.C.C.C.CNc1nc2c(cc1N)nc(C(F)(F)F)n2C.CNc1nc2c(cc1[N+](=O)[O-])nc(C(F)(F)F)n2C.CNc1ncc([N+](=O)[O-])cc1N.Cn1c(C(F)(F)F)nc2c1[NH+](O)CC([N+](=O)[O-])=C2.Cn1c(C(F)(F)F)nc2cc([N+](=O)[O-])c(Cl)nc21.Cn1c(C(F)(F)F)nc2cc([N+](=O)[O-])cnc21.O=C(O)C(F)(F)F
• InChI: InChI=1S/C9H8F3N5O2.C9H10F3N5.C8H4ClF3N4O2.C8H7F3N4O3.C8H5F3N4O2.C6H8N4O2.C2HF3O2.4CH4/c1-13-6-5(17(18)19)3-4-7(15-6)16(2)8(14-4)9(10,11)12;1-14-6-4(13)3-5-7(16-6)17(2)8(15-5)9(10,11)12;1-15-6-3(13-7(15)8(10,11)12)2-4(16(17)18)5(9)14-6;1-13-6-5(12-7(13)8(9,10)11)2-4(15(17)18)3-14(6)16;1-14-6-5(13-7(14)8(9,10)11)2-4(3-12-6)15(16)17;1-8-6-5(7)2-4(3-9-6)10(11)12;3-2(4,5)1(6)7;;;;/h3H,1-2H3,(H,13,15);3H,13H2,1-2H3,(H,14,16);2H,1H3;2,16H,3H2,1H3;2-3H,1H3;2-3H,7H2,1H3,(H,8,9);(H,6,7);4*1H4/p+1
• InChIKey: AEWBTKLKGFIUCT-UHFFFAOYSA-O
• XLogP: 11.76
• TPSA: 519.35 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 8
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1658.66
LogP ≤ 5	11.76
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;N,3-dimethyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-amine;5-N,3-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5,6-diamine;4-hydroxy-3-methyl-6-nitro-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridin-4-ium;methane;2-N-methyl-5-nitropyridine-2,3-diamine;3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid?

The IUPAC name of 5-chloro-3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;N,3-dimethyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-amine;5-N,3-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5,6-diamine;4-hydroxy-3-methyl-6-nitro-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridin-4-ium;methane;2-N-methyl-5-nitropyridine-2,3-diamine;3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid (CID 159250566) is 5-chloro-3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;N,3-dimethyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-amine;5-N,3-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5,6-diamine;4-hydroxy-3-methyl-6-nitro-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridin-4-ium;methane;2-N-methyl-5-nitropyridine-2,3-diamine;3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 5-chloro-3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;N,3-dimethyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-amine;5-N,3-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5,6-diamine;4-hydroxy-3-methyl-6-nitro-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridin-4-ium;methane;2-N-methyl-5-nitropyridine-2,3-diamine;3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid?

The canonical SMILES for 5-chloro-3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;N,3-dimethyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-amine;5-N,3-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5,6-diamine;4-hydroxy-3-methyl-6-nitro-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridin-4-ium;methane;2-N-methyl-5-nitropyridine-2,3-diamine;3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid is C.C.C.C.CNc1nc2c(cc1N)nc(C(F)(F)F)n2C.CNc1nc2c(cc1[N+](=O)[O-])nc(C(F)(F)F)n2C.CNc1ncc([N+](=O)[O-])cc1N.Cn1c(C(F)(F)F)nc2c1[NH+](O)CC([N+](=O)[O-])=C2.Cn1c(C(F)(F)F)nc2cc([N+](=O)[O-])c(Cl)nc21.Cn1c(C(F)(F)F)nc2cc([N+](=O)[O-])cnc21.O=C(O)C(F)(F)F.

What is the InChIKey of 5-chloro-3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;N,3-dimethyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-amine;5-N,3-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5,6-diamine;4-hydroxy-3-methyl-6-nitro-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridin-4-ium;methane;2-N-methyl-5-nitropyridine-2,3-diamine;3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid?

The InChIKey is AEWBTKLKGFIUCT-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H8F3N5O2.C9H10F3N5.C8H4ClF3N4O2.C8H7F3N4O3.C8H5F3N4O2.C6H8N4O2.C2HF3O2.4CH4/c1-13-6-5(17(18)19)3-4-7(15-6)16(2)8(14-4)9(10,11)12;1-14-6-4(13)3-5-7(16-6)17(2)8(15-5)9(10,11)12;1-15-6-3(13-7(15)8(10,11)12)2-4(16(17)18)5(9)14-6;1-13-6-5(12-7(13)8(9,10)11)2-4(15(17)18)3-14(6)16;1-14-6-5(13-7(14)8(9,10)11)2-4(3-12-6)15(16)17;1-8-6-5(7)2-4(3-9-6)10(11)12;3-2(4,5)1(6)7;;;;/h3H,1-2H3,(H,13,15);3H,13H2,1-2H3,(H,14,16);2H,1H3;2,16H,3H2,1H3;2-3H,1H3;2-3H,7H2,1H3,(H,8,9);(H,6,7);4*1H4/p+1.

What are the key properties of 5-chloro-3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;N,3-dimethyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-amine;5-N,3-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5,6-diamine;4-hydroxy-3-methyl-6-nitro-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridin-4-ium;methane;2-N-methyl-5-nitropyridine-2,3-diamine;3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid?

5-chloro-3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;N,3-dimethyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-amine;5-N,3-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5,6-diamine;4-hydroxy-3-methyl-6-nitro-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridin-4-ium;methane;2-N-methyl-5-nitropyridine-2,3-diamine;3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 1658.66 g/mol, XLogP of 11.76, 8 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;N,3-dimethyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-amine;5-N,3-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5,6-diamine;4-hydroxy-3-methyl-6-nitro-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridin-4-ium;methane;2-N-methyl-5-nitropyridine-2,3-diamine;3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 159250566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).