2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine;4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]aniline

C66H38ClF17N16O6 — CID 160903450

About 2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine;4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]aniline

2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine;4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]aniline (PubChem CID 160903450) has the molecular formula C66H38ClF17N16O6 and a molecular weight of 1509.55 g/mol. Its IUPAC name is 2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine;4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]aniline.

Molecular Properties

• Compound Name: 2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine;4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]aniline
• PubChem CID: 160903450
• Molecular Formula: C66H38ClF17N16O6
• Molecular Weight: 1509.55 g/mol
• Exact Mass: 1508.26
• IUPAC Name: 2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine;4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]aniline
• SMILES: FC(F)(F)c1nc2ncccc2[nH]1.Nc1ccc(-n2c(C(F)(F)F)nc3cccnc32)cc1.O=C(Cl)c1cccc(F)c1F.O=C(Nc1ccc(-n2c(C(F)(F)F)nc3cccnc32)cc1)c1cccc(F)c1F.O=[N+]([O-])c1ccc(-n2c(C(F)(F)F)nc3cccnc32)cc1.O=[N+]([O-])c1ccc(F)cc1
• InChI: InChI=1S/C20H11F5N4O.C13H7F3N4O2.C13H9F3N4.C7H3ClF2O.C7H4F3N3.C6H4FNO2/c21-14-4-1-3-13(16(14)22)18(30)27-11-6-8-12(9-7-11)29-17-15(5-2-10-26-17)28-19(29)20(23,24)25;14-13(15,16)12-18-10-2-1-7-17-11(10)19(12)8-3-5-9(6-4-8)20(21)22;14-13(15,16)12-19-10-2-1-7-18-11(10)20(12)9-5-3-8(17)4-6-9;8-7(11)4-2-1-3-5(9)6(4)10;8-7(9,10)6-12-4-2-1-3-11-5(4)13-6;7-5-1-3-6(4-2-5)8(9)10/h1-10H,(H,27,30);1-7H;1-7H,17H2;1-3H;1-3H,(H,11,12,13);1-4H
• InChIKey: SPUVGURFPKOKCP-UHFFFAOYSA-N
• XLogP: 17.39
• TPSA: 292.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1509.55
LogP ≤ 5	17.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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 2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine;4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]aniline?

The IUPAC name of 2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine;4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]aniline (CID 160903450) is 2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine;4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]aniline.

What is the SMILES notation for 2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine;4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]aniline?

The canonical SMILES for 2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine;4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]aniline is FC(F)(F)c1nc2ncccc2[nH]1.Nc1ccc(-n2c(C(F)(F)F)nc3cccnc32)cc1.O=C(Cl)c1cccc(F)c1F.O=C(Nc1ccc(-n2c(C(F)(F)F)nc3cccnc32)cc1)c1cccc(F)c1F.O=[N+]([O-])c1ccc(-n2c(C(F)(F)F)nc3cccnc32)cc1.O=[N+]([O-])c1ccc(F)cc1.

What is the InChIKey of 2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine;4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]aniline?

The InChIKey is SPUVGURFPKOKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F5N4O.C13H7F3N4O2.C13H9F3N4.C7H3ClF2O.C7H4F3N3.C6H4FNO2/c21-14-4-1-3-13(16(14)22)18(30)27-11-6-8-12(9-7-11)29-17-15(5-2-10-26-17)28-19(29)20(23,24)25;14-13(15,16)12-18-10-2-1-7-17-11(10)19(12)8-3-5-9(6-4-8)20(21)22;14-13(15,16)12-19-10-2-1-7-18-11(10)20(12)9-5-3-8(17)4-6-9;8-7(11)4-2-1-3-5(9)6(4)10;8-7(9,10)6-12-4-2-1-3-11-5(4)13-6;7-5-1-3-6(4-2-5)8(9)10/h1-10H,(H,27,30);1-7H;1-7H,17H2;1-3H;1-3H,(H,11,12,13);1-4H.

What are the key properties of 2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine;4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]aniline?

2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine;4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]aniline has a molecular weight of 1509.55 g/mol, XLogP of 17.39, 8 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine;4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]aniline is sourced from PubChem (CID 160903450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).