5-bromo-1-[(5-chloro-6-methyl-3-pyridinyl)methyl]indazole;5-bromo-1-[(5,6-dimethyl-3-pyridinyl)methyl]indole;5-[(2-bromoimidazol-1-yl)methyl]-2,3-difluoro-4-methylpyridine;5-[(4-bromopyrazol-1-yl)methyl]-3-fluoro-2-methylpyridine;5-[(5-bromotetrazol-2-yl)methyl]-2,6-dimethylpyridine-3-carbonitrile;5-[(4-bromotriazol-2-yl)methyl]-2-methylpyridine-3-carbonitrile;5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine;2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)pyridine-3-carbonitrile;methane;1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine

C108H99Br8ClF6N34 — CID 161068890

About 5-bromo-1-[(5-chloro-6-methyl-3-pyridinyl)methyl]indazole;5-bromo-1-[(5,6-dimethyl-3-pyridinyl)methyl]indole;5-[(2-bromoimidazol-1-yl)methyl]-2,3-difluoro-4-methylpyridine;5-[(4-bromopyrazol-1-yl)methyl]-3-fluoro-2-methylpyridine;5-[(5-bromotetrazol-2-yl)methyl]-2,6-dimethylpyridine-3-carbonitrile;5-[(4-bromotriazol-2-yl)methyl]-2-methylpyridine-3-carbonitrile;5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine;2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)pyridine-3-carbonitrile;methane;1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine

5-bromo-1-[(5-chloro-6-methyl-3-pyridinyl)methyl]indazole;5-bromo-1-[(5,6-dimethyl-3-pyridinyl)methyl]indole;5-[(2-bromoimidazol-1-yl)methyl]-2,3-difluoro-4-methylpyridine;5-[(4-bromopyrazol-1-yl)methyl]-3-fluoro-2-methylpyridine;5-[(5-bromotetrazol-2-yl)methyl]-2,6-dimethylpyridine-3-carbonitrile;5-[(4-bromotriazol-2-yl)methyl]-2-methylpyridine-3-carbonitrile;5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine;2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)pyridine-3-carbonitrile;methane;1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine (PubChem CID 161068890) has the molecular formula C108H99Br8ClF6N34 and a molecular weight of 2661.89 g/mol. Its IUPAC name is 5-bromo-1-[(5-chloro-6-methyl-3-pyridinyl)methyl]indazole;5-bromo-1-[(5,6-dimethyl-3-pyridinyl)methyl]indole;5-[(2-bromoimidazol-1-yl)methyl]-2,3-difluoro-4-methylpyridine;5-[(4-bromopyrazol-1-yl)methyl]-3-fluoro-2-methylpyridine;5-[(5-bromotetrazol-2-yl)methyl]-2,6-dimethylpyridine-3-carbonitrile;5-[(4-bromotriazol-2-yl)methyl]-2-methylpyridine-3-carbonitrile;5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine;2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)pyridine-3-carbonitrile;methane;1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 5-bromo-1-[(5-chloro-6-methyl-3-pyridinyl)methyl]indazole;5-bromo-1-[(5,6-dimethyl-3-pyridinyl)methyl]indole;5-[(2-bromoimidazol-1-yl)methyl]-2,3-difluoro-4-methylpyridine;5-[(4-bromopyrazol-1-yl)methyl]-3-fluoro-2-methylpyridine;5-[(5-bromotetrazol-2-yl)methyl]-2,6-dimethylpyridine-3-carbonitrile;5-[(4-bromotriazol-2-yl)methyl]-2-methylpyridine-3-carbonitrile;5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine;2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)pyridine-3-carbonitrile;methane;1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine
• PubChem CID: 161068890
• Molecular Formula: C108H99Br8ClF6N34
• Molecular Weight: 2661.89 g/mol
• Exact Mass: 2652.19
• IUPAC Name: 5-bromo-1-[(5-chloro-6-methyl-3-pyridinyl)methyl]indazole;5-bromo-1-[(5,6-dimethyl-3-pyridinyl)methyl]indole;5-[(2-bromoimidazol-1-yl)methyl]-2,3-difluoro-4-methylpyridine;5-[(4-bromopyrazol-1-yl)methyl]-3-fluoro-2-methylpyridine;5-[(5-bromotetrazol-2-yl)methyl]-2,6-dimethylpyridine-3-carbonitrile;5-[(4-bromotriazol-2-yl)methyl]-2-methylpyridine-3-carbonitrile;5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine;2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)pyridine-3-carbonitrile;methane;1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine
• SMILES: C.Cc1c(Cn2ccnc2Br)cnc(F)c1F.Cc1cc(Cn2ccc3cc(Br)ccc32)cnc1C.Cc1cc(Cn2ccc3cccnc32)c(C)nc1C.Cc1nc(C)c(Cn2nnc(Br)n2)cc1C#N.Cc1ncc(Cn2cc(Br)cn2)cc1F.Cc1ncc(Cn2cncn2)c(C)c1C#N.Cc1ncc(Cn2nc(Br)c(Br)n2)cc1C(F)(F)F.Cc1ncc(Cn2ncc(Br)n2)cc1C#N.Cc1ncc(Cn2ncc3cc(Br)ccc32)cc1Cl
• InChI: InChI=1S/C16H15BrN2.C16H17N3.C14H11BrClN3.C11H11N5.C10H7Br2F3N4.C10H8BrF2N3.C10H9BrFN3.C10H9BrN6.C10H8BrN5.CH4/c1-11-7-13(9-18-12(11)2)10-19-6-5-14-8-15(17)3-4-16(14)19;1-11-9-15(13(3)18-12(11)2)10-19-8-6-14-5-4-7-17-16(14)19;1-9-13(16)4-10(6-17-9)8-19-14-3-2-12(15)5-11(14)7-18-19;1-8-10(5-16-7-13-6-15-16)4-14-9(2)11(8)3-12;1-5-7(10(13,14)15)2-6(3-16-5)4-19-17-8(11)9(12)18-19;1-6-7(4-15-9(13)8(6)12)5-16-3-2-14-10(16)11;1-7-10(12)2-8(3-13-7)5-15-6-9(11)4-14-15;1-6-8(4-12)3-9(7(2)13-6)5-17-15-10(11)14-16-17;1-7-9(3-12)2-8(4-13-7)6-16-14-5-10(11)15-16;/h3-9H,10H2,1-2H3;4-9H,10H2,1-3H3;2-7H,8H2,1H3;4,6-7H,5H2,1-2H3;2-3H,4H2,1H3;2-4H,5H2,1H3;2-4,6H,5H2,1H3;3H,5H2,1-2H3;2,4-5H,6H2,1H3;1H4
• InChIKey: UEJYOHFMDJFALT-UHFFFAOYSA-N
• XLogP: 25.74
• TPSA: 399.32 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 18
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2661.89
LogP ≤ 5	25.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(5-chloro-6-methyl-3-pyridinyl)methyl]indazole;5-bromo-1-[(5,6-dimethyl-3-pyridinyl)methyl]indole;5-[(2-bromoimidazol-1-yl)methyl]-2,3-difluoro-4-methylpyridine;5-[(4-bromopyrazol-1-yl)methyl]-3-fluoro-2-methylpyridine;5-[(5-bromotetrazol-2-yl)methyl]-2,6-dimethylpyridine-3-carbonitrile;5-[(4-bromotriazol-2-yl)methyl]-2-methylpyridine-3-carbonitrile;5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine;2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)pyridine-3-carbonitrile;methane;1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine?

The IUPAC name of 5-bromo-1-[(5-chloro-6-methyl-3-pyridinyl)methyl]indazole;5-bromo-1-[(5,6-dimethyl-3-pyridinyl)methyl]indole;5-[(2-bromoimidazol-1-yl)methyl]-2,3-difluoro-4-methylpyridine;5-[(4-bromopyrazol-1-yl)methyl]-3-fluoro-2-methylpyridine;5-[(5-bromotetrazol-2-yl)methyl]-2,6-dimethylpyridine-3-carbonitrile;5-[(4-bromotriazol-2-yl)methyl]-2-methylpyridine-3-carbonitrile;5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine;2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)pyridine-3-carbonitrile;methane;1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine (CID 161068890) is 5-bromo-1-[(5-chloro-6-methyl-3-pyridinyl)methyl]indazole;5-bromo-1-[(5,6-dimethyl-3-pyridinyl)methyl]indole;5-[(2-bromoimidazol-1-yl)methyl]-2,3-difluoro-4-methylpyridine;5-[(4-bromopyrazol-1-yl)methyl]-3-fluoro-2-methylpyridine;5-[(5-bromotetrazol-2-yl)methyl]-2,6-dimethylpyridine-3-carbonitrile;5-[(4-bromotriazol-2-yl)methyl]-2-methylpyridine-3-carbonitrile;5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine;2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)pyridine-3-carbonitrile;methane;1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 5-bromo-1-[(5-chloro-6-methyl-3-pyridinyl)methyl]indazole;5-bromo-1-[(5,6-dimethyl-3-pyridinyl)methyl]indole;5-[(2-bromoimidazol-1-yl)methyl]-2,3-difluoro-4-methylpyridine;5-[(4-bromopyrazol-1-yl)methyl]-3-fluoro-2-methylpyridine;5-[(5-bromotetrazol-2-yl)methyl]-2,6-dimethylpyridine-3-carbonitrile;5-[(4-bromotriazol-2-yl)methyl]-2-methylpyridine-3-carbonitrile;5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine;2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)pyridine-3-carbonitrile;methane;1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine?

The canonical SMILES for 5-bromo-1-[(5-chloro-6-methyl-3-pyridinyl)methyl]indazole;5-bromo-1-[(5,6-dimethyl-3-pyridinyl)methyl]indole;5-[(2-bromoimidazol-1-yl)methyl]-2,3-difluoro-4-methylpyridine;5-[(4-bromopyrazol-1-yl)methyl]-3-fluoro-2-methylpyridine;5-[(5-bromotetrazol-2-yl)methyl]-2,6-dimethylpyridine-3-carbonitrile;5-[(4-bromotriazol-2-yl)methyl]-2-methylpyridine-3-carbonitrile;5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine;2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)pyridine-3-carbonitrile;methane;1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine is C.Cc1c(Cn2ccnc2Br)cnc(F)c1F.Cc1cc(Cn2ccc3cc(Br)ccc32)cnc1C.Cc1cc(Cn2ccc3cccnc32)c(C)nc1C.Cc1nc(C)c(Cn2nnc(Br)n2)cc1C#N.Cc1ncc(Cn2cc(Br)cn2)cc1F.Cc1ncc(Cn2cncn2)c(C)c1C#N.Cc1ncc(Cn2nc(Br)c(Br)n2)cc1C(F)(F)F.Cc1ncc(Cn2ncc(Br)n2)cc1C#N.Cc1ncc(Cn2ncc3cc(Br)ccc32)cc1Cl.

What is the InChIKey of 5-bromo-1-[(5-chloro-6-methyl-3-pyridinyl)methyl]indazole;5-bromo-1-[(5,6-dimethyl-3-pyridinyl)methyl]indole;5-[(2-bromoimidazol-1-yl)methyl]-2,3-difluoro-4-methylpyridine;5-[(4-bromopyrazol-1-yl)methyl]-3-fluoro-2-methylpyridine;5-[(5-bromotetrazol-2-yl)methyl]-2,6-dimethylpyridine-3-carbonitrile;5-[(4-bromotriazol-2-yl)methyl]-2-methylpyridine-3-carbonitrile;5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine;2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)pyridine-3-carbonitrile;methane;1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine?

The InChIKey is UEJYOHFMDJFALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2.C16H17N3.C14H11BrClN3.C11H11N5.C10H7Br2F3N4.C10H8BrF2N3.C10H9BrFN3.C10H9BrN6.C10H8BrN5.CH4/c1-11-7-13(9-18-12(11)2)10-19-6-5-14-8-15(17)3-4-16(14)19;1-11-9-15(13(3)18-12(11)2)10-19-8-6-14-5-4-7-17-16(14)19;1-9-13(16)4-10(6-17-9)8-19-14-3-2-12(15)5-11(14)7-18-19;1-8-10(5-16-7-13-6-15-16)4-14-9(2)11(8)3-12;1-5-7(10(13,14)15)2-6(3-16-5)4-19-17-8(11)9(12)18-19;1-6-7(4-15-9(13)8(6)12)5-16-3-2-14-10(16)11;1-7-10(12)2-8(3-13-7)5-15-6-9(11)4-14-15;1-6-8(4-12)3-9(7(2)13-6)5-17-15-10(11)14-16-17;1-7-9(3-12)2-8(4-13-7)6-16-14-5-10(11)15-16;/h3-9H,10H2,1-2H3;4-9H,10H2,1-3H3;2-7H,8H2,1H3;4,6-7H,5H2,1-2H3;2-3H,4H2,1H3;2-4H,5H2,1H3;2-4,6H,5H2,1H3;3H,5H2,1-2H3;2,4-5H,6H2,1H3;1H4.

What are the key properties of 5-bromo-1-[(5-chloro-6-methyl-3-pyridinyl)methyl]indazole;5-bromo-1-[(5,6-dimethyl-3-pyridinyl)methyl]indole;5-[(2-bromoimidazol-1-yl)methyl]-2,3-difluoro-4-methylpyridine;5-[(4-bromopyrazol-1-yl)methyl]-3-fluoro-2-methylpyridine;5-[(5-bromotetrazol-2-yl)methyl]-2,6-dimethylpyridine-3-carbonitrile;5-[(4-bromotriazol-2-yl)methyl]-2-methylpyridine-3-carbonitrile;5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine;2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)pyridine-3-carbonitrile;methane;1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine?

5-bromo-1-[(5-chloro-6-methyl-3-pyridinyl)methyl]indazole;5-bromo-1-[(5,6-dimethyl-3-pyridinyl)methyl]indole;5-[(2-bromoimidazol-1-yl)methyl]-2,3-difluoro-4-methylpyridine;5-[(4-bromopyrazol-1-yl)methyl]-3-fluoro-2-methylpyridine;5-[(5-bromotetrazol-2-yl)methyl]-2,6-dimethylpyridine-3-carbonitrile;5-[(4-bromotriazol-2-yl)methyl]-2-methylpyridine-3-carbonitrile;5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine;2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)pyridine-3-carbonitrile;methane;1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine has a molecular weight of 2661.89 g/mol, XLogP of 25.74, 18 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-[(5-chloro-6-methyl-3-pyridinyl)methyl]indazole;5-bromo-1-[(5,6-dimethyl-3-pyridinyl)methyl]indole;5-[(2-bromoimidazol-1-yl)methyl]-2,3-difluoro-4-methylpyridine;5-[(4-bromopyrazol-1-yl)methyl]-3-fluoro-2-methylpyridine;5-[(5-bromotetrazol-2-yl)methyl]-2,6-dimethylpyridine-3-carbonitrile;5-[(4-bromotriazol-2-yl)methyl]-2-methylpyridine-3-carbonitrile;5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine;2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)pyridine-3-carbonitrile;methane;1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 161068890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).