5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;ethane;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;methane;2-methylpropane;propane;pyridin-3-amine;tris(vanadium)

C63H71BBr2F2IN14O6V3-3 — CID 157409353

About 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;ethane;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;methane;2-methylpropane;propane;pyridin-3-amine;tris(vanadium)

5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;ethane;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;methane;2-methylpropane;propane;pyridin-3-amine;tris(vanadium) (PubChem CID 157409353) has the molecular formula C63H71BBr2F2IN14O6V3-3 and a molecular weight of 1608.70 g/mol. Its IUPAC name is 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;ethane;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;methane;2-methylpropane;propane;pyridin-3-amine;tris(vanadium).

Molecular Properties

• Compound Name: 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;ethane;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;methane;2-methylpropane;propane;pyridin-3-amine;tris(vanadium)
• PubChem CID: 157409353
• Molecular Formula: C63H71BBr2F2IN14O6V3-3
• Molecular Weight: 1608.70 g/mol
• Exact Mass: 1606.15
• IUPAC Name: 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;ethane;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;methane;2-methylpropane;propane;pyridin-3-amine;tris(vanadium)
• SMILES: C.CC(C)(C)I.C[C-](C)C.C[CH-]C.Nc1cccnc1.O=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(F)c3)cc12.O=C(Nc1cccnc1)c1n[nH]c2ccc(Br)cc12.O=C(O)c1n[nH]c2ccc(Br)cc12.OB(O)c1cncc(F)c1.[CH2-]C.[V].[V].[V]
• InChI: InChI=1S/C18H12FN5O.C13H9BrN4O.C8H5BrN2O2.C5H5BFNO2.C5H6N2.C4H9I.C4H9.C3H7.C2H5.CH4.3V/c19-13-6-12(8-21-9-13)11-3-4-16-15(7-11)17(24-23-16)18(25)22-14-2-1-5-20-10-14;14-8-3-4-11-10(6-8)12(18-17-11)13(19)16-9-2-1-5-15-7-9;9-4-1-2-6-5(3-4)7(8(12)13)11-10-6;7-5-1-4(6(9)10)2-8-3-5;6-5-2-1-3-7-4-5;1-4(2,3)5;1-4(2)3;1-3-2;1-2;;;;/h1-10H,(H,22,25)(H,23,24);1-7H,(H,16,19)(H,17,18);1-3H,(H,10,11)(H,12,13);1-3,9-10H;1-4H,6H2;1-3H3;1-3H3;3H,1-2H3;1H2,2H3;1H4;;;/q;;;;;;3*-1
• InChIKey: SCKAVVWHNOSVNC-UHFFFAOYSA-N
• XLogP: 14.51
• TPSA: 312.47 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1608.70
LogP ≤ 5	14.51
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;ethane;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;methane;2-methylpropane;propane;pyridin-3-amine;tris(vanadium)?

The IUPAC name of 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;ethane;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;methane;2-methylpropane;propane;pyridin-3-amine;tris(vanadium) (CID 157409353) is 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;ethane;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;methane;2-methylpropane;propane;pyridin-3-amine;tris(vanadium).

What is the SMILES notation for 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;ethane;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;methane;2-methylpropane;propane;pyridin-3-amine;tris(vanadium)?

The canonical SMILES for 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;ethane;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;methane;2-methylpropane;propane;pyridin-3-amine;tris(vanadium) is C.CC(C)(C)I.C[C-](C)C.C[CH-]C.Nc1cccnc1.O=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(F)c3)cc12.O=C(Nc1cccnc1)c1n[nH]c2ccc(Br)cc12.O=C(O)c1n[nH]c2ccc(Br)cc12.OB(O)c1cncc(F)c1.[CH2-]C.[V].[V].[V].

What is the InChIKey of 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;ethane;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;methane;2-methylpropane;propane;pyridin-3-amine;tris(vanadium)?

The InChIKey is SCKAVVWHNOSVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O.C13H9BrN4O.C8H5BrN2O2.C5H5BFNO2.C5H6N2.C4H9I.C4H9.C3H7.C2H5.CH4.3V/c19-13-6-12(8-21-9-13)11-3-4-16-15(7-11)17(24-23-16)18(25)22-14-2-1-5-20-10-14;14-8-3-4-11-10(6-8)12(18-17-11)13(19)16-9-2-1-5-15-7-9;9-4-1-2-6-5(3-4)7(8(12)13)11-10-6;7-5-1-4(6(9)10)2-8-3-5;6-5-2-1-3-7-4-5;1-4(2,3)5;1-4(2)3;1-3-2;1-2;;;;/h1-10H,(H,22,25)(H,23,24);1-7H,(H,16,19)(H,17,18);1-3H,(H,10,11)(H,12,13);1-3,9-10H;1-4H,6H2;1-3H3;1-3H3;3H,1-2H3;1H2,2H3;1H4;;;/q;;;;;;3*-1;;;;.

What are the key properties of 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;ethane;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;methane;2-methylpropane;propane;pyridin-3-amine;tris(vanadium)?

5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;ethane;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;methane;2-methylpropane;propane;pyridin-3-amine;tris(vanadium) has a molecular weight of 1608.70 g/mol, XLogP of 14.51, 7 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;ethane;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;methane;2-methylpropane;propane;pyridin-3-amine;tris(vanadium) is sourced from PubChem (CID 157409353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).