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

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

5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium (PubChem CID 160581177) has the molecular formula C57H55BBr2F2IN14O6V- and a molecular weight of 1418.62 g/mol. Its IUPAC name is 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium.

Molecular Properties

Compound Name	5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium
PubChem CID	160581177
Molecular Formula	C57H55BBr2F2IN14O6V-
Molecular Weight	1418.62 g/mol
Exact Mass	1416.13
IUPAC Name	5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium
SMILES	CC(C)(C)I.C[C-](C)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.[V]
InChI	InChI=1S/C18H12FN5O.C13H9BrN4O.C8H5BrN2O2.C5H5BFNO2.C5H6N2.C4H9I.C4H9.V/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;/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;/q;;;;;;-1;
InChIKey	XZURFTIOBUKWGR-UHFFFAOYSA-N
XLogP	11.81
TPSA	312.47 Å²
H-Bond Donors	9
H-Bond Acceptors	14
Rotatable Bonds	7
Heavy Atoms	84
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1418.62
LogP ≤ 5	11.81
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'}

Related Compounds

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;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium?

The IUPAC name of 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium (CID 160581177) is 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium.

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

The canonical SMILES for 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium is CC(C)(C)I.C[C-](C)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.[V].

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

The InChIKey is XZURFTIOBUKWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O.C13H9BrN4O.C8H5BrN2O2.C5H5BFNO2.C5H6N2.C4H9I.C4H9.V/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;/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;/q;;;;;;-1;.

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

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;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium is sourced from PubChem (CID 160581177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).