2-(4-bromophenyl)-4-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-hydroxy-5-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;methane

C127H95Br5Cl2FN13O24S7+2 — CID 158114263

About 2-(4-bromophenyl)-4-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-hydroxy-5-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;methane

2-(4-bromophenyl)-4-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-hydroxy-5-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;methane (PubChem CID 158114263) has the molecular formula C127H95Br5Cl2FN13O24S7+2 and a molecular weight of 2901.12 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-hydroxy-5-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;methane.

Molecular Properties

• Compound Name: 2-(4-bromophenyl)-4-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-hydroxy-5-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;methane
• PubChem CID: 158114263
• Molecular Formula: C127H95Br5Cl2FN13O24S7+2
• Molecular Weight: 2901.12 g/mol
• Exact Mass: 2892.99
• IUPAC Name: 2-(4-bromophenyl)-4-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-hydroxy-5-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;methane
• SMILES: C.COc1cccc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)n1.COc1cccc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)n1.C[n+]1ccc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)cc1.C[n+]1cccc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)c1.Cc1cc(O)cc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)c1.Cc1ccc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)cn1.O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cccc(F)n1
• InChI: InChI=1S/C19H14BrNO4S.C18H13BrN2O4S.2C18H13BrN2O3S.C18H13ClN2O4S.C18H13ClN2O3S.C17H10BrFN2O3S.CH4/c1-10-6-12(8-14(22)7-10)18(23)21-15-9-26-17(16(15)19(24)25)11-2-4-13(20)5-3-11;1-25-14-4-2-3-12(20-14)17(22)21-13-9-26-16(15(13)18(23)24)10-5-7-11(19)8-6-10;1-21-8-6-12(7-9-21)17(22)20-14-10-25-16(15(14)18(23)24)11-2-4-13(19)5-3-11;1-21-8-2-3-12(9-21)17(22)20-14-10-25-16(15(14)18(23)24)11-4-6-13(19)7-5-11;1-25-14-4-2-3-12(20-14)17(22)21-13-9-26-16(15(13)18(23)24)10-5-7-11(19)8-6-10;1-10-2-3-12(8-20-10)17(22)21-14-9-25-16(15(14)18(23)24)11-4-6-13(19)7-5-11;18-10-6-4-9(5-7-10)15-14(17(23)24)12(8-25-15)21-16(22)11-2-1-3-13(19)20-11;/h2-9,22H,1H3,(H,21,23)(H,24,25);2-9H,1H3,(H,21,22)(H,23,24);2*2-10H,1H3,(H-,20,22,23,24);2-9H,1H3,(H,21,22)(H,23,24);2-9H,1H3,(H,21,22)(H,23,24);1-8H,(H,21,22)(H,23,24);1H4/p+2
• InChIKey: FQUPKOXQRGTAGD-UHFFFAOYSA-P
• XLogP: 32.02
• TPSA: 562.81 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2901.12
LogP ≤ 5	32.02
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-hydroxy-5-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;methane?

The IUPAC name of 2-(4-bromophenyl)-4-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-hydroxy-5-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;methane (CID 158114263) is 2-(4-bromophenyl)-4-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-hydroxy-5-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;methane.

What is the SMILES notation for 2-(4-bromophenyl)-4-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-hydroxy-5-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;methane?

The canonical SMILES for 2-(4-bromophenyl)-4-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-hydroxy-5-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;methane is C.COc1cccc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)n1.COc1cccc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)n1.C[n+]1ccc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)cc1.C[n+]1cccc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)c1.Cc1cc(O)cc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)c1.Cc1ccc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)cn1.O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cccc(F)n1.

What is the InChIKey of 2-(4-bromophenyl)-4-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-hydroxy-5-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;methane?

The InChIKey is FQUPKOXQRGTAGD-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H14BrNO4S.C18H13BrN2O4S.2C18H13BrN2O3S.C18H13ClN2O4S.C18H13ClN2O3S.C17H10BrFN2O3S.CH4/c1-10-6-12(8-14(22)7-10)18(23)21-15-9-26-17(16(15)19(24)25)11-2-4-13(20)5-3-11;1-25-14-4-2-3-12(20-14)17(22)21-13-9-26-16(15(13)18(23)24)10-5-7-11(19)8-6-10;1-21-8-6-12(7-9-21)17(22)20-14-10-25-16(15(14)18(23)24)11-2-4-13(19)5-3-11;1-21-8-2-3-12(9-21)17(22)20-14-10-25-16(15(14)18(23)24)11-4-6-13(19)7-5-11;1-25-14-4-2-3-12(20-14)17(22)21-13-9-26-16(15(13)18(23)24)10-5-7-11(19)8-6-10;1-10-2-3-12(8-20-10)17(22)21-14-9-25-16(15(14)18(23)24)11-4-6-13(19)7-5-11;18-10-6-4-9(5-7-10)15-14(17(23)24)12(8-25-15)21-16(22)11-2-1-3-13(19)20-11;/h2-9,22H,1H3,(H,21,23)(H,24,25);2-9H,1H3,(H,21,22)(H,23,24);2*2-10H,1H3,(H-,20,22,23,24);2-9H,1H3,(H,21,22)(H,23,24);2-9H,1H3,(H,21,22)(H,23,24);1-8H,(H,21,22)(H,23,24);1H4/p+2.

What are the key properties of 2-(4-bromophenyl)-4-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-hydroxy-5-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;methane?

2-(4-bromophenyl)-4-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-hydroxy-5-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;methane has a molecular weight of 2901.12 g/mol, XLogP of 32.02, 30 rotatable bonds, 15 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromophenyl)-4-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-hydroxy-5-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;methane is sourced from PubChem (CID 158114263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).