2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]octanoate;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide;methane;1-methylpyrazol-3-amine;vanadium

C55H74BrF4N17O4V — CID 159081792

About 2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]octanoate;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide;methane;1-methylpyrazol-3-amine;vanadium

2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]octanoate;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide;methane;1-methylpyrazol-3-amine;vanadium (PubChem CID 159081792) has the molecular formula C55H74BrF4N17O4V and a molecular weight of 1244.15 g/mol. Its IUPAC name is 2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]octanoate;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide;methane;1-methylpyrazol-3-amine;vanadium.

Molecular Properties

• Compound Name: 2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]octanoate;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide;methane;1-methylpyrazol-3-amine;vanadium
• PubChem CID: 159081792
• Molecular Formula: C55H74BrF4N17O4V
• Molecular Weight: 1244.15 g/mol
• Exact Mass: 1242.47
• IUPAC Name: 2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]octanoate;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide;methane;1-methylpyrazol-3-amine;vanadium
• SMILES: C.CCOC(=O)CCCCCCCN(c1ccc(F)cn1)c1ccn(C)n1.Cn1ccc(N(CCCCCCCC(=O)NO)c2ccc(F)cn2)n1.Cn1ccc(N)n1.Cn1ccc(Nc2ccc(F)cn2)n1.Fc1ccc(Br)nc1.[V]
• InChI: InChI=1S/C19H27FN4O2.C17H24FN5O2.C9H9FN4.C5H3BrFN.C4H7N3.CH4.V/c1-3-26-19(25)9-7-5-4-6-8-13-24(18-12-14-23(2)22-18)17-11-10-16(20)15-21-17;1-22-12-10-16(20-22)23(15-9-8-14(18)13-19-15)11-6-4-2-3-5-7-17(24)21-25;1-14-5-4-9(13-14)12-8-3-2-7(10)6-11-8;6-5-2-1-4(7)3-8-5;1-7-3-2-4(5)6-7;;/h10-12,14-15H,3-9,13H2,1-2H3;8-10,12-13,25H,2-7,11H2,1H3,(H,21,24);2-6H,1H3,(H,11,12,13);1-3H;2-3H,1H3,(H2,5,6);1H4
• InChIKey: KAYJOLQVAJVJFB-UHFFFAOYSA-N
• XLogP: 11.25
• TPSA: 243.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1244.15
LogP ≤ 5	11.25
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-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]octanoate;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide;methane;1-methylpyrazol-3-amine;vanadium?

The IUPAC name of 2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]octanoate;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide;methane;1-methylpyrazol-3-amine;vanadium (CID 159081792) is 2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]octanoate;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide;methane;1-methylpyrazol-3-amine;vanadium.

What is the SMILES notation for 2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]octanoate;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide;methane;1-methylpyrazol-3-amine;vanadium?

The canonical SMILES for 2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]octanoate;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide;methane;1-methylpyrazol-3-amine;vanadium is C.CCOC(=O)CCCCCCCN(c1ccc(F)cn1)c1ccn(C)n1.Cn1ccc(N(CCCCCCCC(=O)NO)c2ccc(F)cn2)n1.Cn1ccc(N)n1.Cn1ccc(Nc2ccc(F)cn2)n1.Fc1ccc(Br)nc1.[V].

What is the InChIKey of 2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]octanoate;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide;methane;1-methylpyrazol-3-amine;vanadium?

The InChIKey is KAYJOLQVAJVJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O2.C17H24FN5O2.C9H9FN4.C5H3BrFN.C4H7N3.CH4.V/c1-3-26-19(25)9-7-5-4-6-8-13-24(18-12-14-23(2)22-18)17-11-10-16(20)15-21-17;1-22-12-10-16(20-22)23(15-9-8-14(18)13-19-15)11-6-4-2-3-5-7-17(24)21-25;1-14-5-4-9(13-14)12-8-3-2-7(10)6-11-8;6-5-2-1-4(7)3-8-5;1-7-3-2-4(5)6-7;;/h10-12,14-15H,3-9,13H2,1-2H3;8-10,12-13,25H,2-7,11H2,1H3,(H,21,24);2-6H,1H3,(H,11,12,13);1-3H;2-3H,1H3,(H2,5,6);1H4;.

What are the key properties of 2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]octanoate;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide;methane;1-methylpyrazol-3-amine;vanadium?

2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]octanoate;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide;methane;1-methylpyrazol-3-amine;vanadium has a molecular weight of 1244.15 g/mol, XLogP of 11.25, 23 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]octanoate;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide;methane;1-methylpyrazol-3-amine;vanadium is sourced from PubChem (CID 159081792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).