6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;2-fluoro-6-methylpyridine;methyl 6-bromo-1H-isoindole-4-carboxylate

About 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;2-fluoro-6-methylpyridine;methyl 6-bromo-1H-isoindole-4-carboxylate

6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;2-fluoro-6-methylpyridine;methyl 6-bromo-1H-isoindole-4-carboxylate (PubChem CID 159868437) has the molecular formula C44H34Br3FN8O6 and a molecular weight of 1029.52 g/mol. Its IUPAC name is 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;2-fluoro-6-methylpyridine;methyl 6-bromo-1H-isoindole-4-carboxylate.

Molecular Properties

Compound Name	6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;2-fluoro-6-methylpyridine;methyl 6-bromo-1H-isoindole-4-carboxylate
PubChem CID	159868437
Molecular Formula	C44H34Br3FN8O6
Molecular Weight	1029.52 g/mol
Exact Mass	1026.01
IUPAC Name	6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;2-fluoro-6-methylpyridine;methyl 6-bromo-1H-isoindole-4-carboxylate
SMILES	COC(=O)c1cc(Br)cc2c1C=NC2.Cc1cccc(-n2cc3c(C(=O)O)cc(Br)cc3n2)n1.Cc1cccc(-n2ncc3c(C(=O)O)cc(Br)cc32)n1.Cc1cccc(F)n1
InChI	InChI=1S/2C14H10BrN3O2.C10H8BrNO2.C6H6FN/c1-8-3-2-4-13(16-8)18-7-11-10(14(19)20)5-9(15)6-12(11)17-18;1-8-3-2-4-13(17-8)18-12-6-9(15)5-10(14(19)20)11(12)7-16-18;1-14-10(13)8-3-7(11)2-6-4-12-5-9(6)8;1-5-3-2-4-6(7)8-5/h2*2-7H,1H3,(H,19,20);2-3,5H,4H2,1H3;2-4H,1H3
InChIKey	NSAJWIPTIIQATF-UHFFFAOYSA-N
XLogP	10.08
TPSA	187.57 Å²
H-Bond Donors	2
H-Bond Acceptors	12
Rotatable Bonds	5
Heavy Atoms	62
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1029.52
LogP ≤ 5	10.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;2-fluoro-6-methylpyridine;methyl 6-bromo-1H-isoindole-4-carboxylate?

The IUPAC name of 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;2-fluoro-6-methylpyridine;methyl 6-bromo-1H-isoindole-4-carboxylate (CID 159868437) is 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;2-fluoro-6-methylpyridine;methyl 6-bromo-1H-isoindole-4-carboxylate.

What is the SMILES notation for 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;2-fluoro-6-methylpyridine;methyl 6-bromo-1H-isoindole-4-carboxylate?

The canonical SMILES for 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;2-fluoro-6-methylpyridine;methyl 6-bromo-1H-isoindole-4-carboxylate is COC(=O)c1cc(Br)cc2c1C=NC2.Cc1cccc(-n2cc3c(C(=O)O)cc(Br)cc3n2)n1.Cc1cccc(-n2ncc3c(C(=O)O)cc(Br)cc32)n1.Cc1cccc(F)n1.

What is the InChIKey of 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;2-fluoro-6-methylpyridine;methyl 6-bromo-1H-isoindole-4-carboxylate?

The InChIKey is NSAJWIPTIIQATF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H10BrN3O2.C10H8BrNO2.C6H6FN/c1-8-3-2-4-13(16-8)18-7-11-10(14(19)20)5-9(15)6-12(11)17-18;1-8-3-2-4-13(17-8)18-12-6-9(15)5-10(14(19)20)11(12)7-16-18;1-14-10(13)8-3-7(11)2-6-4-12-5-9(6)8;1-5-3-2-4-6(7)8-5/h2*2-7H,1H3,(H,19,20);2-3,5H,4H2,1H3;2-4H,1H3.

What are the key properties of 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;2-fluoro-6-methylpyridine;methyl 6-bromo-1H-isoindole-4-carboxylate?

6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;2-fluoro-6-methylpyridine;methyl 6-bromo-1H-isoindole-4-carboxylate has a molecular weight of 1029.52 g/mol, XLogP of 10.08, 5 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;2-fluoro-6-methylpyridine;methyl 6-bromo-1H-isoindole-4-carboxylate is sourced from PubChem (CID 159868437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).