5-bromo-1H-indazole-3-carboxylic acid;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;1,2-diiodo-2-methylpropane;1H-indazole-3-carboxylic acid;2-iodo-2-methanidylpropane;2-iodo-2-methylpropane;methyl 5-bromo-1H-indazole-3-carboxylate;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;2-methylpropane;1,1,2-triiodo-2-methylpropane;bis(vanadium)

C72H87Br4I7N10O12V2-2 — CID 160534318

IUPAC5-bromo-1H-indazole-3-carboxylic acid;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;1,2-diiodo-2-methylpropane;1H-indazole-3-carboxylic acid;2-iodo-2-methanidylpropane;2-iodo-2-methylpropane;methyl 5-bromo-1H-indazole-3-carboxylate;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;2-methylpropane;1,1,2-triiodo-2-methylpropane;bis(vanadium)
SMILESCC(C)(C)I.CC(C)(I)C(I)I.CC(C)(I)CI.COC(=O)c1n[nH]c2ccc(Br)cc12.COC(=O)c1nn(C2CCCCO2)c2ccc(Br)cc12.C[C-](C)C.O=C(O)c1n[nH]c2ccc(Br)cc12.O=C(O)c1n[nH]c2ccccc12.O=C(O)c1nn(C2CCCCO2)c2ccc(Br)cc12.[CH2-]C(C)(C)I.[V].[V]
InChIInChI=1S/C14H15BrN2O3.C13H13BrN2O3.C9H7BrN2O2.C8H5BrN2O2.C8H6N2O2.C4H7I3.C4H8I2.C4H9I.C4H8I.C4H9.2V/c1-19-14(18)13-10-8-9(15)5-6-11(10)17(16-13)12-4-2-3-7-20-12;14-8-4-5-10-9(7-8)12(13(17)18)15-16(10)11-3-1-2-6-19-11;1-14-9(13)8-6-4-5(10)2-3-7(6)11-12-8;9-4-1-2-6-5(3-4)7(8(12)13)11-10-6;11-8(12)7-5-3-1-2-4-6(5)9-10-7;1-4(2,7)3(5)6;1-4(2,6)3-5;2*1-4(2,3)5;1-4(2)3;;/h5-6,8,12H,2-4,7H2,1H3;4-5,7,11H,1-3,6H2,(H,17,18);2-4H,1H3,(H,11,12);1-3H,(H,10,11)(H,12,13);1-4H,(H,9,10)(H,11,12);3H,1-2H3;3H2,1-2H3;1-3H3;1H2,2-3H3;1-3H3;;/q;;;;;;;;2*-1;;
InChIKeyHEHDRWWERWONIS-UHFFFAOYSA-N
MW2594.38 g/mol
LogP23.78
Rot. Bonds9

About 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;1,2-diiodo-2-methylpropane;1H-indazole-3-carboxylic acid;2-iodo-2-methanidylpropane;2-iodo-2-methylpropane;methyl 5-bromo-1H-indazole-3-carboxylate;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;2-methylpropane;1,1,2-triiodo-2-methylpropane;bis(vanadium)

5-bromo-1H-indazole-3-carboxylic acid;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;1,2-diiodo-2-methylpropane;1H-indazole-3-carboxylic acid;2-iodo-2-methanidylpropane;2-iodo-2-methylpropane;methyl 5-bromo-1H-indazole-3-carboxylate;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;2-methylpropane;1,1,2-triiodo-2-methylpropane;bis(vanadium) (PubChem CID 160534318) has the molecular formula C72H87Br4I7N10O12V2-2 and a molecular weight of 2594.38 g/mol. Its IUPAC name is 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;1,2-diiodo-2-methylpropane;1H-indazole-3-carboxylic acid;2-iodo-2-methanidylpropane;2-iodo-2-methylpropane;methyl 5-bromo-1H-indazole-3-carboxylate;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;2-methylpropane;1,1,2-triiodo-2-methylpropane;bis(vanadium).

Molecular Properties

Compound Name5-bromo-1H-indazole-3-carboxylic acid;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;1,2-diiodo-2-methylpropane;1H-indazole-3-carboxylic acid;2-iodo-2-methanidylpropane;2-iodo-2-methylpropane;methyl 5-bromo-1H-indazole-3-carboxylate;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;2-methylpropane;1,1,2-triiodo-2-methylpropane;bis(vanadium)
PubChem CID160534318
Molecular FormulaC72H87Br4I7N10O12V2-2
Molecular Weight2594.38 g/mol
Exact Mass2589.54
IUPAC Name5-bromo-1H-indazole-3-carboxylic acid;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;1,2-diiodo-2-methylpropane;1H-indazole-3-carboxylic acid;2-iodo-2-methanidylpropane;2-iodo-2-methylpropane;methyl 5-bromo-1H-indazole-3-carboxylate;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;2-methylpropane;1,1,2-triiodo-2-methylpropane;bis(vanadium)
SMILESCC(C)(C)I.CC(C)(I)C(I)I.CC(C)(I)CI.COC(=O)c1n[nH]c2ccc(Br)cc12.COC(=O)c1nn(C2CCCCO2)c2ccc(Br)cc12.C[C-](C)C.O=C(O)c1n[nH]c2ccc(Br)cc12.O=C(O)c1n[nH]c2ccccc12.O=C(O)c1nn(C2CCCCO2)c2ccc(Br)cc12.[CH2-]C(C)(C)I.[V].[V]
InChIInChI=1S/C14H15BrN2O3.C13H13BrN2O3.C9H7BrN2O2.C8H5BrN2O2.C8H6N2O2.C4H7I3.C4H8I2.C4H9I.C4H8I.C4H9.2V/c1-19-14(18)13-10-8-9(15)5-6-11(10)17(16-13)12-4-2-3-7-20-12;14-8-4-5-10-9(7-8)12(13(17)18)15-16(10)11-3-1-2-6-19-11;1-14-9(13)8-6-4-5(10)2-3-7(6)11-12-8;9-4-1-2-6-5(3-4)7(8(12)13)11-10-6;11-8(12)7-5-3-1-2-4-6(5)9-10-7;1-4(2,7)3(5)6;1-4(2,6)3-5;2*1-4(2,3)5;1-4(2)3;;/h5-6,8,12H,2-4,7H2,1H3;4-5,7,11H,1-3,6H2,(H,17,18);2-4H,1H3,(H,11,12);1-3H,(H,10,11)(H,12,13);1-4H,(H,9,10)(H,11,12);3H,1-2H3;3H2,1-2H3;1-3H3;1H2,2-3H3;1-3H3;;/q;;;;;;;;2*-1;;
InChIKeyHEHDRWWERWONIS-UHFFFAOYSA-N
XLogP23.78
TPSA304.64 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002594.38
LogP ≤ 523.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;1,2-diiodo-2-methylpropane;1H-indazole-3-carboxylic acid;2-iodo-2-methanidylpropane;2-iodo-2-methylpropane;methyl 5-bromo-1H-indazole-3-carboxylate;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;2-methylpropane;1,1,2-triiodo-2-methylpropane;bis(vanadium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;1,2-diiodo-2-methylpropane;1H-indazole-3-carboxylic acid;2-iodo-2-methanidylpropane;2-iodo-2-methylpropane;methyl 5-bromo-1H-indazole-3-carboxylate;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;2-methylpropane;1,1,2-triiodo-2-methylpropane;bis(vanadium)?
The IUPAC name of 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;1,2-diiodo-2-methylpropane;1H-indazole-3-carboxylic acid;2-iodo-2-methanidylpropane;2-iodo-2-methylpropane;methyl 5-bromo-1H-indazole-3-carboxylate;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;2-methylpropane;1,1,2-triiodo-2-methylpropane;bis(vanadium) (CID 160534318) is 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;1,2-diiodo-2-methylpropane;1H-indazole-3-carboxylic acid;2-iodo-2-methanidylpropane;2-iodo-2-methylpropane;methyl 5-bromo-1H-indazole-3-carboxylate;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;2-methylpropane;1,1,2-triiodo-2-methylpropane;bis(vanadium).
What is the SMILES notation for 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;1,2-diiodo-2-methylpropane;1H-indazole-3-carboxylic acid;2-iodo-2-methanidylpropane;2-iodo-2-methylpropane;methyl 5-bromo-1H-indazole-3-carboxylate;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;2-methylpropane;1,1,2-triiodo-2-methylpropane;bis(vanadium)?
The canonical SMILES for 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;1,2-diiodo-2-methylpropane;1H-indazole-3-carboxylic acid;2-iodo-2-methanidylpropane;2-iodo-2-methylpropane;methyl 5-bromo-1H-indazole-3-carboxylate;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;2-methylpropane;1,1,2-triiodo-2-methylpropane;bis(vanadium) is CC(C)(C)I.CC(C)(I)C(I)I.CC(C)(I)CI.COC(=O)c1n[nH]c2ccc(Br)cc12.COC(=O)c1nn(C2CCCCO2)c2ccc(Br)cc12.C[C-](C)C.O=C(O)c1n[nH]c2ccc(Br)cc12.O=C(O)c1n[nH]c2ccccc12.O=C(O)c1nn(C2CCCCO2)c2ccc(Br)cc12.[CH2-]C(C)(C)I.[V].[V].
What is the InChIKey of 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;1,2-diiodo-2-methylpropane;1H-indazole-3-carboxylic acid;2-iodo-2-methanidylpropane;2-iodo-2-methylpropane;methyl 5-bromo-1H-indazole-3-carboxylate;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;2-methylpropane;1,1,2-triiodo-2-methylpropane;bis(vanadium)?
The InChIKey is HEHDRWWERWONIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3.C13H13BrN2O3.C9H7BrN2O2.C8H5BrN2O2.C8H6N2O2.C4H7I3.C4H8I2.C4H9I.C4H8I.C4H9.2V/c1-19-14(18)13-10-8-9(15)5-6-11(10)17(16-13)12-4-2-3-7-20-12;14-8-4-5-10-9(7-8)12(13(17)18)15-16(10)11-3-1-2-6-19-11;1-14-9(13)8-6-4-5(10)2-3-7(6)11-12-8;9-4-1-2-6-5(3-4)7(8(12)13)11-10-6;11-8(12)7-5-3-1-2-4-6(5)9-10-7;1-4(2,7)3(5)6;1-4(2,6)3-5;2*1-4(2,3)5;1-4(2)3;;/h5-6,8,12H,2-4,7H2,1H3;4-5,7,11H,1-3,6H2,(H,17,18);2-4H,1H3,(H,11,12);1-3H,(H,10,11)(H,12,13);1-4H,(H,9,10)(H,11,12);3H,1-2H3;3H2,1-2H3;1-3H3;1H2,2-3H3;1-3H3;;/q;;;;;;;;2*-1;;.
What are the key properties of 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;1,2-diiodo-2-methylpropane;1H-indazole-3-carboxylic acid;2-iodo-2-methanidylpropane;2-iodo-2-methylpropane;methyl 5-bromo-1H-indazole-3-carboxylate;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;2-methylpropane;1,1,2-triiodo-2-methylpropane;bis(vanadium)?
5-bromo-1H-indazole-3-carboxylic acid;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;1,2-diiodo-2-methylpropane;1H-indazole-3-carboxylic acid;2-iodo-2-methanidylpropane;2-iodo-2-methylpropane;methyl 5-bromo-1H-indazole-3-carboxylate;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;2-methylpropane;1,1,2-triiodo-2-methylpropane;bis(vanadium) has a molecular weight of 2594.38 g/mol, XLogP of 23.78, 9 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-indazole-3-carboxylic acid;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;1,2-diiodo-2-methylpropane;1H-indazole-3-carboxylic acid;2-iodo-2-methanidylpropane;2-iodo-2-methylpropane;methyl 5-bromo-1H-indazole-3-carboxylate;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;2-methylpropane;1,1,2-triiodo-2-methylpropane;bis(vanadium) is sourced from PubChem (CID 160534318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).