2-bromopyridine;ethyl 8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanamide;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine;hydrofluoride

C54H75BrFN17O4 — CID 158640135

About 2-bromopyridine;ethyl 8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanamide;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine;hydrofluoride

2-bromopyridine;ethyl 8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanamide;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine;hydrofluoride (PubChem CID 158640135) has the molecular formula C54H75BrFN17O4 and a molecular weight of 1125.21 g/mol. Its IUPAC name is 2-bromopyridine;ethyl 8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanamide;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine;hydrofluoride.

Molecular Properties

• Compound Name: 2-bromopyridine;ethyl 8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanamide;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine;hydrofluoride
• PubChem CID: 158640135
• Molecular Formula: C54H75BrFN17O4
• Molecular Weight: 1125.21 g/mol
• Exact Mass: 1123.54
• IUPAC Name: 2-bromopyridine;ethyl 8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanamide;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine;hydrofluoride
• SMILES: Brc1ccccn1.CCOC(=O)CCCCCCCN(c1ccccn1)c1ccn(C)n1.Cn1ccc(N(CCCCCCCC(=O)NO)c2ccccn2)n1.Cn1ccc(N)n1.Cn1ccc(Nc2ccccn2)n1.F
• InChI: InChI=1S/C19H28N4O2.C17H25N5O2.C9H10N4.C5H4BrN.C4H7N3.FH/c1-3-25-19(24)12-7-5-4-6-10-15-23(17-11-8-9-14-20-17)18-13-16-22(2)21-18;1-21-14-11-16(19-21)22(15-9-6-7-12-18-15)13-8-4-2-3-5-10-17(23)20-24;1-13-7-5-9(12-13)11-8-4-2-3-6-10-8;6-5-3-1-2-4-7-5;1-7-3-2-4(5)6-7;/h8-9,11,13-14,16H,3-7,10,12,15H2,1-2H3;6-7,9,11-12,14,24H,2-5,8,10,13H2,1H3,(H,20,23);2-7H,1H3,(H,10,11,12);1-4H;2-3H,1H3,(H2,5,6);1H
• InChIKey: IAGSMGGSMDXFTM-UHFFFAOYSA-N
• XLogP: 10.21
• TPSA: 243.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1125.21
LogP ≤ 5	10.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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;ethyl 8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanamide;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine;hydrofluoride?

The IUPAC name of 2-bromopyridine;ethyl 8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanamide;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine;hydrofluoride (CID 158640135) is 2-bromopyridine;ethyl 8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanamide;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine;hydrofluoride.

What is the SMILES notation for 2-bromopyridine;ethyl 8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanamide;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine;hydrofluoride?

The canonical SMILES for 2-bromopyridine;ethyl 8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanamide;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine;hydrofluoride is Brc1ccccn1.CCOC(=O)CCCCCCCN(c1ccccn1)c1ccn(C)n1.Cn1ccc(N(CCCCCCCC(=O)NO)c2ccccn2)n1.Cn1ccc(N)n1.Cn1ccc(Nc2ccccn2)n1.F.

What is the InChIKey of 2-bromopyridine;ethyl 8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanamide;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine;hydrofluoride?

The InChIKey is IAGSMGGSMDXFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.C17H25N5O2.C9H10N4.C5H4BrN.C4H7N3.FH/c1-3-25-19(24)12-7-5-4-6-10-15-23(17-11-8-9-14-20-17)18-13-16-22(2)21-18;1-21-14-11-16(19-21)22(15-9-6-7-12-18-15)13-8-4-2-3-5-10-17(23)20-24;1-13-7-5-9(12-13)11-8-4-2-3-6-10-8;6-5-3-1-2-4-7-5;1-7-3-2-4(5)6-7;/h8-9,11,13-14,16H,3-7,10,12,15H2,1-2H3;6-7,9,11-12,14,24H,2-5,8,10,13H2,1H3,(H,20,23);2-7H,1H3,(H,10,11,12);1-4H;2-3H,1H3,(H2,5,6);1H.

What are the key properties of 2-bromopyridine;ethyl 8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanamide;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine;hydrofluoride?

2-bromopyridine;ethyl 8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanamide;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine;hydrofluoride has a molecular weight of 1125.21 g/mol, XLogP of 10.21, 23 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromopyridine;ethyl 8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanoate;N-hydroxy-8-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]octanamide;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine;hydrofluoride is sourced from PubChem (CID 158640135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).