N-(6-bromo-5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;5-fluoro-2-methylpyridin-3-amine;N-(5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate

C51H57BrF6N16O12S4 — CID 158292196

About N-(6-bromo-5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;5-fluoro-2-methylpyridin-3-amine;N-(5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate

N-(6-bromo-5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;5-fluoro-2-methylpyridin-3-amine;N-(5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate (PubChem CID 158292196) has the molecular formula C51H57BrF6N16O12S4 and a molecular weight of 1408.28 g/mol. Its IUPAC name is N-(6-bromo-5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;5-fluoro-2-methylpyridin-3-amine;N-(5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate.

Molecular Properties

• Compound Name: N-(6-bromo-5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;5-fluoro-2-methylpyridin-3-amine;N-(5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate
• PubChem CID: 158292196
• Molecular Formula: C51H57BrF6N16O12S4
• Molecular Weight: 1408.28 g/mol
• Exact Mass: 1406.23
• IUPAC Name: N-(6-bromo-5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;5-fluoro-2-methylpyridin-3-amine;N-(5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate
• SMILES: Cc1nc(-c2nnn(C)c2C(=O)O)c(F)cc1NS(C)(=O)=O.Cc1nc(-c2nnn(C)c2CC(=O)O[C@H](CF)c2ccccc2)c(F)cc1NS(C)(=O)=O.Cc1nc(Br)c(F)cc1NS(C)(=O)=O.Cc1ncc(F)cc1N.Cc1ncc(F)cc1NS(C)(=O)=O
• InChI: InChI=1S/C20H21F2N5O4S.C11H12FN5O4S.C7H8BrFN2O2S.C7H9FN2O2S.C6H7FN2/c1-12-15(25-32(3,29)30)9-14(22)19(23-12)20-16(27(2)26-24-20)10-18(28)31-17(11-21)13-7-5-4-6-8-13;1-5-7(15-22(3,20)21)4-6(12)8(13-5)9-10(11(18)19)17(2)16-14-9;1-4-6(11-14(2,12)13)3-5(9)7(8)10-4;1-5-7(10-13(2,11)12)3-6(8)4-9-5;1-4-6(8)2-5(7)3-9-4/h4-9,17,25H,10-11H2,1-3H3;4,15H,1-3H3,(H,18,19);3,11H,1-2H3;3-4,10H,1-2H3;2-3H,8H2,1H3/t17-;;;;/m1..../s1
• InChIKey: GLMJQKKOSFDLEV-GIZSFIMASA-N
• XLogP: 6.56
• TPSA: 400.17 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1408.28
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;5-fluoro-2-methylpyridin-3-amine;N-(5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate?

The IUPAC name of N-(6-bromo-5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;5-fluoro-2-methylpyridin-3-amine;N-(5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate (CID 158292196) is N-(6-bromo-5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;5-fluoro-2-methylpyridin-3-amine;N-(5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate.

What is the SMILES notation for N-(6-bromo-5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;5-fluoro-2-methylpyridin-3-amine;N-(5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate?

The canonical SMILES for N-(6-bromo-5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;5-fluoro-2-methylpyridin-3-amine;N-(5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate is Cc1nc(-c2nnn(C)c2C(=O)O)c(F)cc1NS(C)(=O)=O.Cc1nc(-c2nnn(C)c2CC(=O)O[C@H](CF)c2ccccc2)c(F)cc1NS(C)(=O)=O.Cc1nc(Br)c(F)cc1NS(C)(=O)=O.Cc1ncc(F)cc1N.Cc1ncc(F)cc1NS(C)(=O)=O.

What is the InChIKey of N-(6-bromo-5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;5-fluoro-2-methylpyridin-3-amine;N-(5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate?

The InChIKey is GLMJQKKOSFDLEV-GIZSFIMASA-N. The full InChI is InChI=1S/C20H21F2N5O4S.C11H12FN5O4S.C7H8BrFN2O2S.C7H9FN2O2S.C6H7FN2/c1-12-15(25-32(3,29)30)9-14(22)19(23-12)20-16(27(2)26-24-20)10-18(28)31-17(11-21)13-7-5-4-6-8-13;1-5-7(15-22(3,20)21)4-6(12)8(13-5)9-10(11(18)19)17(2)16-14-9;1-4-6(11-14(2,12)13)3-5(9)7(8)10-4;1-5-7(10-13(2,11)12)3-6(8)4-9-5;1-4-6(8)2-5(7)3-9-4/h4-9,17,25H,10-11H2,1-3H3;4,15H,1-3H3,(H,18,19);3,11H,1-2H3;3-4,10H,1-2H3;2-3H,8H2,1H3/t17-;;;;/m1..../s1.

What are the key properties of N-(6-bromo-5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;5-fluoro-2-methylpyridin-3-amine;N-(5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate?

N-(6-bromo-5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;5-fluoro-2-methylpyridin-3-amine;N-(5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate has a molecular weight of 1408.28 g/mol, XLogP of 6.56, 16 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-bromo-5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;5-fluoro-2-methylpyridin-3-amine;N-(5-fluoro-2-methyl-3-pyridinyl)methanesulfonamide;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[3-fluoro-5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate is sourced from PubChem (CID 158292196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).