6-bromo-1H-isoindole;2-bromo-6-propan-2-ylpyridine;6-bromo-1-(6-propan-2-yl-2-pyridinyl)indazole;6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole

C46H44Br4N8 — CID 159937652

IUPAC6-bromo-1H-isoindole;2-bromo-6-propan-2-ylpyridine;6-bromo-1-(6-propan-2-yl-2-pyridinyl)indazole;6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole
SMILESBrc1ccc2c(c1)CN=C2.CC(C)c1cccc(-n2cc3ccc(Br)cc3n2)n1.CC(C)c1cccc(-n2ncc3ccc(Br)cc32)n1.CC(C)c1cccc(Br)n1
InChIInChI=1S/2C15H14BrN3.C8H6BrN.C8H10BrN/c1-10(2)13-4-3-5-15(17-13)19-9-11-6-7-12(16)8-14(11)18-19;1-10(2)13-4-3-5-15(18-13)19-14-8-12(16)7-6-11(14)9-17-19;9-8-2-1-6-4-10-5-7(6)3-8;1-6(2)7-4-3-5-8(9)10-7/h2*3-10H,1-2H3;1-4H,5H2;3-6H,1-2H3
InChIKeyOALPWPPHVPOWDE-UHFFFAOYSA-N
MW1028.53 g/mol
LogP13.96
Rot. Bonds5

About 6-bromo-1H-isoindole;2-bromo-6-propan-2-ylpyridine;6-bromo-1-(6-propan-2-yl-2-pyridinyl)indazole;6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole

6-bromo-1H-isoindole;2-bromo-6-propan-2-ylpyridine;6-bromo-1-(6-propan-2-yl-2-pyridinyl)indazole;6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole (PubChem CID 159937652) has the molecular formula C46H44Br4N8 and a molecular weight of 1028.53 g/mol. Its IUPAC name is 6-bromo-1H-isoindole;2-bromo-6-propan-2-ylpyridine;6-bromo-1-(6-propan-2-yl-2-pyridinyl)indazole;6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole.

Molecular Properties

Compound Name6-bromo-1H-isoindole;2-bromo-6-propan-2-ylpyridine;6-bromo-1-(6-propan-2-yl-2-pyridinyl)indazole;6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole
PubChem CID159937652
Molecular FormulaC46H44Br4N8
Molecular Weight1028.53 g/mol
Exact Mass1024.04
IUPAC Name6-bromo-1H-isoindole;2-bromo-6-propan-2-ylpyridine;6-bromo-1-(6-propan-2-yl-2-pyridinyl)indazole;6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole
SMILESBrc1ccc2c(c1)CN=C2.CC(C)c1cccc(-n2cc3ccc(Br)cc3n2)n1.CC(C)c1cccc(-n2ncc3ccc(Br)cc32)n1.CC(C)c1cccc(Br)n1
InChIInChI=1S/2C15H14BrN3.C8H6BrN.C8H10BrN/c1-10(2)13-4-3-5-15(17-13)19-9-11-6-7-12(16)8-14(11)18-19;1-10(2)13-4-3-5-15(18-13)19-14-8-12(16)7-6-11(14)9-17-19;9-8-2-1-6-4-10-5-7(6)3-8;1-6(2)7-4-3-5-8(9)10-7/h2*3-10H,1-2H3;1-4H,5H2;3-6H,1-2H3
InChIKeyOALPWPPHVPOWDE-UHFFFAOYSA-N
XLogP13.96
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001028.53
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-bromo-1H-isoindole;2-bromo-6-propan-2-ylpyridine;6-bromo-1-(6-propan-2-yl-2-pyridinyl)indazole;6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole with MolForge

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Related Compounds

2-Bromo-9-[4-(1,2,4-triazol-1-yl)pyrimidin-2-yl]carbazole
CID 172444616
6-bromo-1H-isoindole;6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2-chloro-6-(trifluoromethyl)pyridine
CID 157525699
6-bromo-1H-isoindole;6-bromo-1-[4-(trifluoromethyl)pyrimidin-2-yl]indazole;2-chloro-4-(trifluoromethyl)pyrimidine
CID 161484346
6-Bromo-2-(6-isopropylpyridin-2-yl)-2h-indazole
CID 118663974
6-Bromo-4-ethyl-1-(6-methyl-2-pyridinyl)indazole
CID 130231728
6-Bromo-4-ethyl-2-(6-methyl-2-pyridinyl)indazole
CID 130231730
7-bromo-1-[(3S,4R)-4-methyl-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]isoquinoline
CID 142341227
7-bromo-1-[(4R)-4-methyl-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]isoquinoline
CID 155373002
3-Bromoaniline;3-(1-pyridin-2-ylindazol-6-yl)aniline;1-pyridin-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 157263702
1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]cyclopropane-1-carbonitrile;2-bromo-6-(1-isocyanocyclopropyl)pyridine;6-bromo-1H-isoindole
CID 157300120
3-Bromo-6-(4-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidine;4-[6-(4-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylquinoline
CID 157315041
6-bromo-1H-isoindole;6-bromo-1-(4-methyl-2-pyridinyl)indazole;2-chloro-4-methylpyridine
CID 157354685

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-isoindole;2-bromo-6-propan-2-ylpyridine;6-bromo-1-(6-propan-2-yl-2-pyridinyl)indazole;6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole?
The IUPAC name of 6-bromo-1H-isoindole;2-bromo-6-propan-2-ylpyridine;6-bromo-1-(6-propan-2-yl-2-pyridinyl)indazole;6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole (CID 159937652) is 6-bromo-1H-isoindole;2-bromo-6-propan-2-ylpyridine;6-bromo-1-(6-propan-2-yl-2-pyridinyl)indazole;6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole.
What is the SMILES notation for 6-bromo-1H-isoindole;2-bromo-6-propan-2-ylpyridine;6-bromo-1-(6-propan-2-yl-2-pyridinyl)indazole;6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole?
The canonical SMILES for 6-bromo-1H-isoindole;2-bromo-6-propan-2-ylpyridine;6-bromo-1-(6-propan-2-yl-2-pyridinyl)indazole;6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole is Brc1ccc2c(c1)CN=C2.CC(C)c1cccc(-n2cc3ccc(Br)cc3n2)n1.CC(C)c1cccc(-n2ncc3ccc(Br)cc32)n1.CC(C)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-1H-isoindole;2-bromo-6-propan-2-ylpyridine;6-bromo-1-(6-propan-2-yl-2-pyridinyl)indazole;6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole?
The InChIKey is OALPWPPHVPOWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H14BrN3.C8H6BrN.C8H10BrN/c1-10(2)13-4-3-5-15(17-13)19-9-11-6-7-12(16)8-14(11)18-19;1-10(2)13-4-3-5-15(18-13)19-14-8-12(16)7-6-11(14)9-17-19;9-8-2-1-6-4-10-5-7(6)3-8;1-6(2)7-4-3-5-8(9)10-7/h2*3-10H,1-2H3;1-4H,5H2;3-6H,1-2H3.
What are the key properties of 6-bromo-1H-isoindole;2-bromo-6-propan-2-ylpyridine;6-bromo-1-(6-propan-2-yl-2-pyridinyl)indazole;6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole?
6-bromo-1H-isoindole;2-bromo-6-propan-2-ylpyridine;6-bromo-1-(6-propan-2-yl-2-pyridinyl)indazole;6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole has a molecular weight of 1028.53 g/mol, XLogP of 13.96, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-isoindole;2-bromo-6-propan-2-ylpyridine;6-bromo-1-(6-propan-2-yl-2-pyridinyl)indazole;6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole is sourced from PubChem (CID 159937652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).