2-bromopyridine;N-hydroxy-4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine;hydrofluoride

C45H41BrFN17O4S4 — CID 158460823

About 2-bromopyridine;N-hydroxy-4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine;hydrofluoride

2-bromopyridine;N-hydroxy-4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine;hydrofluoride (PubChem CID 158460823) has the molecular formula C45H41BrFN17O4S4 and a molecular weight of 1111.11 g/mol. Its IUPAC name is 2-bromopyridine;N-hydroxy-4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine;hydrofluoride.

Molecular Properties

• Compound Name: 2-bromopyridine;N-hydroxy-4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine;hydrofluoride
• PubChem CID: 158460823
• Molecular Formula: C45H41BrFN17O4S4
• Molecular Weight: 1111.11 g/mol
• Exact Mass: 1109.16
• IUPAC Name: 2-bromopyridine;N-hydroxy-4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine;hydrofluoride
• SMILES: Brc1ccccn1.COC(=O)c1ccc(CN(c2ccccn2)c2nncs2)cc1.F.Nc1nncs1.O=C(NO)c1ccc(CN(c2ccccn2)c2nncs2)cc1.c1ccc(Nc2nncs2)nc1
• InChI: InChI=1S/C16H14N4O2S.C15H13N5O2S.C7H6N4S.C5H4BrN.C2H3N3S.FH/c1-22-15(21)13-7-5-12(6-8-13)10-20(16-19-18-11-23-16)14-4-2-3-9-17-14;21-14(19-22)12-6-4-11(5-7-12)9-20(15-18-17-10-23-15)13-3-1-2-8-16-13;1-2-4-8-6(3-1)10-7-11-9-5-12-7;6-5-3-1-2-4-7-5;3-2-5-4-1-6-2;/h2-9,11H,10H2,1H3;1-8,10,22H,9H2,(H,19,21);1-5H,(H,8,10,11);1-4H;1H,(H2,3,5);1H
• InChIKey: HFDLUIRQLVXDEX-UHFFFAOYSA-N
• XLogP: 9.24
• TPSA: 274.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1111.11
LogP ≤ 5	9.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromopyridine;N-hydroxy-4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine;hydrofluoride?

The IUPAC name of 2-bromopyridine;N-hydroxy-4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine;hydrofluoride (CID 158460823) is 2-bromopyridine;N-hydroxy-4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine;hydrofluoride.

What is the SMILES notation for 2-bromopyridine;N-hydroxy-4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine;hydrofluoride?

The canonical SMILES for 2-bromopyridine;N-hydroxy-4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine;hydrofluoride is Brc1ccccn1.COC(=O)c1ccc(CN(c2ccccn2)c2nncs2)cc1.F.Nc1nncs1.O=C(NO)c1ccc(CN(c2ccccn2)c2nncs2)cc1.c1ccc(Nc2nncs2)nc1.

What is the InChIKey of 2-bromopyridine;N-hydroxy-4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine;hydrofluoride?

The InChIKey is HFDLUIRQLVXDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S.C15H13N5O2S.C7H6N4S.C5H4BrN.C2H3N3S.FH/c1-22-15(21)13-7-5-12(6-8-13)10-20(16-19-18-11-23-16)14-4-2-3-9-17-14;21-14(19-22)12-6-4-11(5-7-12)9-20(15-18-17-10-23-15)13-3-1-2-8-16-13;1-2-4-8-6(3-1)10-7-11-9-5-12-7;6-5-3-1-2-4-7-5;3-2-5-4-1-6-2;/h2-9,11H,10H2,1H3;1-8,10,22H,9H2,(H,19,21);1-5H,(H,8,10,11);1-4H;1H,(H2,3,5);1H.

What are the key properties of 2-bromopyridine;N-hydroxy-4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine;hydrofluoride?

2-bromopyridine;N-hydroxy-4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine;hydrofluoride has a molecular weight of 1111.11 g/mol, XLogP of 9.24, 12 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromopyridine;N-hydroxy-4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine;hydrofluoride is sourced from PubChem (CID 158460823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).