2-bromo-4-ethyl-5-nitropyridine;3,3-difluoroazetidine;6-(3,3-difluoroazetidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;hydrochloride

C55H64BrClF8N18O2 — CID 160733315

About 2-bromo-4-ethyl-5-nitropyridine;3,3-difluoroazetidine;6-(3,3-difluoroazetidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;hydrochloride

2-bromo-4-ethyl-5-nitropyridine;3,3-difluoroazetidine;6-(3,3-difluoroazetidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;hydrochloride (PubChem CID 160733315) has the molecular formula C55H64BrClF8N18O2 and a molecular weight of 1276.58 g/mol. Its IUPAC name is 2-bromo-4-ethyl-5-nitropyridine;3,3-difluoroazetidine;6-(3,3-difluoroazetidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;hydrochloride.

Molecular Properties

• Compound Name: 2-bromo-4-ethyl-5-nitropyridine;3,3-difluoroazetidine;6-(3,3-difluoroazetidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;hydrochloride
• PubChem CID: 160733315
• Molecular Formula: C55H64BrClF8N18O2
• Molecular Weight: 1276.58 g/mol
• Exact Mass: 1274.42
• IUPAC Name: 2-bromo-4-ethyl-5-nitropyridine;3,3-difluoroazetidine;6-(3,3-difluoroazetidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;hydrochloride
• SMILES: CCc1cc(Br)ncc1[N+](=O)[O-].CCc1cc(N2CC(F)(F)C2)ncc1N.CCc1cc(N2CC(F)(F)C2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(N2CC(F)(F)C2)ncc1Nc1cc2c(cn1)ncn2C.Cl.FC1(F)CNC1
• InChI: InChI=1S/C18H20F2N6.C17H18F2N6.C10H13F2N3.C7H7BrN2O2.C3H5F2N.ClH/c1-4-12-5-17(26-9-18(19,20)10-26)22-8-15(12)25(3)16-6-14-13(7-21-16)23-11-24(14)2;1-3-11-4-16(25-8-17(18,19)9-25)21-6-12(11)23-15-5-14-13(7-20-15)22-10-24(14)2;1-2-7-3-9(14-4-8(7)13)15-5-10(11,12)6-15;1-2-5-3-7(8)9-4-6(5)10(11)12;4-3(5)1-6-2-3;/h5-8,11H,4,9-10H2,1-3H3;4-7,10H,3,8-9H2,1-2H3,(H,20,23);3-4H,2,5-6,13H2,1H3;3-4H,2H2,1H3;6H,1-2H2;1H
• InChIKey: IJHMCPLUTAUSCQ-UHFFFAOYSA-N
• XLogP: 10.92
• TPSA: 219.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1276.58
LogP ≤ 5	10.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

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 2-bromo-4-ethyl-5-nitropyridine;3,3-difluoroazetidine;6-(3,3-difluoroazetidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;hydrochloride?

The IUPAC name of 2-bromo-4-ethyl-5-nitropyridine;3,3-difluoroazetidine;6-(3,3-difluoroazetidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;hydrochloride (CID 160733315) is 2-bromo-4-ethyl-5-nitropyridine;3,3-difluoroazetidine;6-(3,3-difluoroazetidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;hydrochloride.

What is the SMILES notation for 2-bromo-4-ethyl-5-nitropyridine;3,3-difluoroazetidine;6-(3,3-difluoroazetidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;hydrochloride?

The canonical SMILES for 2-bromo-4-ethyl-5-nitropyridine;3,3-difluoroazetidine;6-(3,3-difluoroazetidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;hydrochloride is CCc1cc(Br)ncc1[N+](=O)[O-].CCc1cc(N2CC(F)(F)C2)ncc1N.CCc1cc(N2CC(F)(F)C2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(N2CC(F)(F)C2)ncc1Nc1cc2c(cn1)ncn2C.Cl.FC1(F)CNC1.

What is the InChIKey of 2-bromo-4-ethyl-5-nitropyridine;3,3-difluoroazetidine;6-(3,3-difluoroazetidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;hydrochloride?

The InChIKey is IJHMCPLUTAUSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N6.C17H18F2N6.C10H13F2N3.C7H7BrN2O2.C3H5F2N.ClH/c1-4-12-5-17(26-9-18(19,20)10-26)22-8-15(12)25(3)16-6-14-13(7-21-16)23-11-24(14)2;1-3-11-4-16(25-8-17(18,19)9-25)21-6-12(11)23-15-5-14-13(7-20-15)22-10-24(14)2;1-2-7-3-9(14-4-8(7)13)15-5-10(11,12)6-15;1-2-5-3-7(8)9-4-6(5)10(11)12;4-3(5)1-6-2-3;/h5-8,11H,4,9-10H2,1-3H3;4-7,10H,3,8-9H2,1-2H3,(H,20,23);3-4H,2,5-6,13H2,1H3;3-4H,2H2,1H3;6H,1-2H2;1H.

What are the key properties of 2-bromo-4-ethyl-5-nitropyridine;3,3-difluoroazetidine;6-(3,3-difluoroazetidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;hydrochloride?

2-bromo-4-ethyl-5-nitropyridine;3,3-difluoroazetidine;6-(3,3-difluoroazetidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;hydrochloride has a molecular weight of 1276.58 g/mol, XLogP of 10.92, 12 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-4-ethyl-5-nitropyridine;3,3-difluoroazetidine;6-(3,3-difluoroazetidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;hydrochloride is sourced from PubChem (CID 160733315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).