2-bromo-5-fluoropyridine;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine;hydrate

C55H62BrF4N17O5 — CID 159690115

About 2-bromo-5-fluoropyridine;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine;hydrate

2-bromo-5-fluoropyridine;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine;hydrate (PubChem CID 159690115) has the molecular formula C55H62BrF4N17O5 and a molecular weight of 1197.11 g/mol. Its IUPAC name is 2-bromo-5-fluoropyridine;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine;hydrate.

Molecular Properties

• Compound Name: 2-bromo-5-fluoropyridine;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine;hydrate
• PubChem CID: 159690115
• Molecular Formula: C55H62BrF4N17O5
• Molecular Weight: 1197.11 g/mol
• Exact Mass: 1195.42
• IUPAC Name: 2-bromo-5-fluoropyridine;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine;hydrate
• SMILES: C.C.COC(=O)c1ccc(CN(c2ccc(F)cn2)c2ccn(C)n2)cc1.Cn1ccc(N(Cc2ccc(C(=O)NO)cc2)c2ccc(F)cn2)n1.Cn1ccc(N)n1.Cn1ccc(Nc2ccc(F)cn2)n1.Fc1ccc(Br)nc1.O
• InChI: InChI=1S/C18H17FN4O2.C17H16FN5O2.C9H9FN4.C5H3BrFN.C4H7N3.2CH4.H2O/c1-22-10-9-17(21-22)23(16-8-7-15(19)11-20-16)12-13-3-5-14(6-4-13)18(24)25-2;1-22-9-8-16(20-22)23(15-7-6-14(18)10-19-15)11-12-2-4-13(5-3-12)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;;;/h3-11H,12H2,1-2H3;2-10,25H,11H2,1H3,(H,21,24);2-6H,1H3,(H,11,12,13);1-3H;2-3H,1H3,(H2,5,6);2*1H4;1H2
• InChIKey: FAICYSNKYDXAFJ-UHFFFAOYSA-N
• XLogP: 9.62
• TPSA: 274.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1197.11
LogP ≤ 5	9.62
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': '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;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine;hydrate?

The IUPAC name of 2-bromo-5-fluoropyridine;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine;hydrate (CID 159690115) is 2-bromo-5-fluoropyridine;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine;hydrate.

What is the SMILES notation for 2-bromo-5-fluoropyridine;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine;hydrate?

The canonical SMILES for 2-bromo-5-fluoropyridine;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine;hydrate is C.C.COC(=O)c1ccc(CN(c2ccc(F)cn2)c2ccn(C)n2)cc1.Cn1ccc(N(Cc2ccc(C(=O)NO)cc2)c2ccc(F)cn2)n1.Cn1ccc(N)n1.Cn1ccc(Nc2ccc(F)cn2)n1.Fc1ccc(Br)nc1.O.

What is the InChIKey of 2-bromo-5-fluoropyridine;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine;hydrate?

The InChIKey is FAICYSNKYDXAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2.C17H16FN5O2.C9H9FN4.C5H3BrFN.C4H7N3.2CH4.H2O/c1-22-10-9-17(21-22)23(16-8-7-15(19)11-20-16)12-13-3-5-14(6-4-13)18(24)25-2;1-22-9-8-16(20-22)23(15-7-6-14(18)10-19-15)11-12-2-4-13(5-3-12)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;;;/h3-11H,12H2,1-2H3;2-10,25H,11H2,1H3,(H,21,24);2-6H,1H3,(H,11,12,13);1-3H;2-3H,1H3,(H2,5,6);2*1H4;1H2.

What are the key properties of 2-bromo-5-fluoropyridine;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine;hydrate?

2-bromo-5-fluoropyridine;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine;hydrate has a molecular weight of 1197.11 g/mol, XLogP of 9.62, 12 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-fluoropyridine;5-fluoro-N-(1-methylpyrazol-3-yl)pyridin-2-amine;4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]methyl]benzoate;1-methylpyrazol-3-amine;hydrate is sourced from PubChem (CID 159690115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).