5-bromo-6-methylpyridin-2-amine;2-chloro-4-(4-chloro-2-methylsulfonylanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(4-chloro-2-methylsulfonylanilino)-2-[(5,6-dimethyl-2-pyridinyl)methyl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;5,6-dimethylpyridin-2-amine;methane

C52H57BrCl3N11O6S2 — CID 161236716

About 5-bromo-6-methylpyridin-2-amine;2-chloro-4-(4-chloro-2-methylsulfonylanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(4-chloro-2-methylsulfonylanilino)-2-[(5,6-dimethyl-2-pyridinyl)methyl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;5,6-dimethylpyridin-2-amine;methane

5-bromo-6-methylpyridin-2-amine;2-chloro-4-(4-chloro-2-methylsulfonylanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(4-chloro-2-methylsulfonylanilino)-2-[(5,6-dimethyl-2-pyridinyl)methyl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;5,6-dimethylpyridin-2-amine;methane (PubChem CID 161236716) has the molecular formula C52H57BrCl3N11O6S2 and a molecular weight of 1182.50 g/mol. Its IUPAC name is 5-bromo-6-methylpyridin-2-amine;2-chloro-4-(4-chloro-2-methylsulfonylanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(4-chloro-2-methylsulfonylanilino)-2-[(5,6-dimethyl-2-pyridinyl)methyl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;5,6-dimethylpyridin-2-amine;methane.

Molecular Properties

• Compound Name: 5-bromo-6-methylpyridin-2-amine;2-chloro-4-(4-chloro-2-methylsulfonylanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(4-chloro-2-methylsulfonylanilino)-2-[(5,6-dimethyl-2-pyridinyl)methyl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;5,6-dimethylpyridin-2-amine;methane
• PubChem CID: 161236716
• Molecular Formula: C52H57BrCl3N11O6S2
• Molecular Weight: 1182.50 g/mol
• Exact Mass: 1179.22
• IUPAC Name: 5-bromo-6-methylpyridin-2-amine;2-chloro-4-(4-chloro-2-methylsulfonylanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(4-chloro-2-methylsulfonylanilino)-2-[(5,6-dimethyl-2-pyridinyl)methyl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;5,6-dimethylpyridin-2-amine;methane
• SMILES: C.CN1Cc2nc(Cl)cc(Nc3ccc(Cl)cc3S(C)(=O)=O)c2C1=O.Cc1ccc(Cc2cc(Nc3ccc(Cl)cc3S(C)(=O)=O)c3c(n2)CN(C)C3=O)nc1C.Cc1ccc(N)nc1C.Cc1nc(N)ccc1Br
• InChI: InChI=1S/C23H23ClN4O3S.C15H13Cl2N3O3S.C7H10N2.C6H7BrN2.CH4/c1-13-5-7-16(25-14(13)2)10-17-11-19(22-20(26-17)12-28(3)23(22)29)27-18-8-6-15(24)9-21(18)32(4,30)31;1-20-7-11-14(15(20)21)10(6-13(17)19-11)18-9-4-3-8(16)5-12(9)24(2,22)23;1-5-3-4-7(8)9-6(5)2;1-4-5(7)2-3-6(8)9-4;/h5-9,11H,10,12H2,1-4H3,(H,26,27);3-6H,7H2,1-2H3,(H,18,19);3-4H,1-2H3,(H2,8,9);2-3H,1H3,(H2,8,9);1H4
• InChIKey: UZLUBEQKUDCYNT-UHFFFAOYSA-N
• XLogP: 10.84
• TPSA: 249.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1182.50
LogP ≤ 5	10.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methylpyridin-2-amine;2-chloro-4-(4-chloro-2-methylsulfonylanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(4-chloro-2-methylsulfonylanilino)-2-[(5,6-dimethyl-2-pyridinyl)methyl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;5,6-dimethylpyridin-2-amine;methane?

The IUPAC name of 5-bromo-6-methylpyridin-2-amine;2-chloro-4-(4-chloro-2-methylsulfonylanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(4-chloro-2-methylsulfonylanilino)-2-[(5,6-dimethyl-2-pyridinyl)methyl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;5,6-dimethylpyridin-2-amine;methane (CID 161236716) is 5-bromo-6-methylpyridin-2-amine;2-chloro-4-(4-chloro-2-methylsulfonylanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(4-chloro-2-methylsulfonylanilino)-2-[(5,6-dimethyl-2-pyridinyl)methyl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;5,6-dimethylpyridin-2-amine;methane.

What is the SMILES notation for 5-bromo-6-methylpyridin-2-amine;2-chloro-4-(4-chloro-2-methylsulfonylanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(4-chloro-2-methylsulfonylanilino)-2-[(5,6-dimethyl-2-pyridinyl)methyl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;5,6-dimethylpyridin-2-amine;methane?

The canonical SMILES for 5-bromo-6-methylpyridin-2-amine;2-chloro-4-(4-chloro-2-methylsulfonylanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(4-chloro-2-methylsulfonylanilino)-2-[(5,6-dimethyl-2-pyridinyl)methyl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;5,6-dimethylpyridin-2-amine;methane is C.CN1Cc2nc(Cl)cc(Nc3ccc(Cl)cc3S(C)(=O)=O)c2C1=O.Cc1ccc(Cc2cc(Nc3ccc(Cl)cc3S(C)(=O)=O)c3c(n2)CN(C)C3=O)nc1C.Cc1ccc(N)nc1C.Cc1nc(N)ccc1Br.

What is the InChIKey of 5-bromo-6-methylpyridin-2-amine;2-chloro-4-(4-chloro-2-methylsulfonylanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(4-chloro-2-methylsulfonylanilino)-2-[(5,6-dimethyl-2-pyridinyl)methyl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;5,6-dimethylpyridin-2-amine;methane?

The InChIKey is UZLUBEQKUDCYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3S.C15H13Cl2N3O3S.C7H10N2.C6H7BrN2.CH4/c1-13-5-7-16(25-14(13)2)10-17-11-19(22-20(26-17)12-28(3)23(22)29)27-18-8-6-15(24)9-21(18)32(4,30)31;1-20-7-11-14(15(20)21)10(6-13(17)19-11)18-9-4-3-8(16)5-12(9)24(2,22)23;1-5-3-4-7(8)9-6(5)2;1-4-5(7)2-3-6(8)9-4;/h5-9,11H,10,12H2,1-4H3,(H,26,27);3-6H,7H2,1-2H3,(H,18,19);3-4H,1-2H3,(H2,8,9);2-3H,1H3,(H2,8,9);1H4.

What are the key properties of 5-bromo-6-methylpyridin-2-amine;2-chloro-4-(4-chloro-2-methylsulfonylanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(4-chloro-2-methylsulfonylanilino)-2-[(5,6-dimethyl-2-pyridinyl)methyl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;5,6-dimethylpyridin-2-amine;methane?

5-bromo-6-methylpyridin-2-amine;2-chloro-4-(4-chloro-2-methylsulfonylanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(4-chloro-2-methylsulfonylanilino)-2-[(5,6-dimethyl-2-pyridinyl)methyl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;5,6-dimethylpyridin-2-amine;methane has a molecular weight of 1182.50 g/mol, XLogP of 10.84, 8 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-methylpyridin-2-amine;2-chloro-4-(4-chloro-2-methylsulfonylanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(4-chloro-2-methylsulfonylanilino)-2-[(5,6-dimethyl-2-pyridinyl)methyl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;5,6-dimethylpyridin-2-amine;methane is sourced from PubChem (CID 161236716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).