6-bromo-5-methyl-1H-isoindole;6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine

C29H26Br2FN5 — CID 158843850

IUPAC6-bromo-5-methyl-1H-isoindole;6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine
SMILESCc1cc2c(cc1Br)CN=C2.Cc1cccc(-n2ncc3cc(C)c(Br)cc32)n1.Cc1cccc(F)n1
InChIInChI=1S/C14H12BrN3.C9H8BrN.C6H6FN/c1-9-6-11-8-16-18(13(11)7-12(9)15)14-5-3-4-10(2)17-14;1-6-2-7-4-11-5-8(7)3-9(6)10;1-5-3-2-4-6(7)8-5/h3-8H,1-2H3;2-4H,5H2,1H3;2-4H,1H3
InChIKeyIYOSHNJLDDMOIO-UHFFFAOYSA-N
MW623.37 g/mol
LogP8.02
Rot. Bonds1

About 6-bromo-5-methyl-1H-isoindole;6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine

6-bromo-5-methyl-1H-isoindole;6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine (PubChem CID 158843850) has the molecular formula C29H26Br2FN5 and a molecular weight of 623.37 g/mol. Its IUPAC name is 6-bromo-5-methyl-1H-isoindole;6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine.

Molecular Properties

Compound Name6-bromo-5-methyl-1H-isoindole;6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine
PubChem CID158843850
Molecular FormulaC29H26Br2FN5
Molecular Weight623.37 g/mol
Exact Mass621.05
IUPAC Name6-bromo-5-methyl-1H-isoindole;6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine
SMILESCc1cc2c(cc1Br)CN=C2.Cc1cccc(-n2ncc3cc(C)c(Br)cc32)n1.Cc1cccc(F)n1
InChIInChI=1S/C14H12BrN3.C9H8BrN.C6H6FN/c1-9-6-11-8-16-18(13(11)7-12(9)15)14-5-3-4-10(2)17-14;1-6-2-7-4-11-5-8(7)3-9(6)10;1-5-3-2-4-6(7)8-5/h3-8H,1-2H3;2-4H,5H2,1H3;2-4H,1H3
InChIKeyIYOSHNJLDDMOIO-UHFFFAOYSA-N
XLogP8.02
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.37
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-Bromo-3-(3,3-dimethylbenzo[g]indol-2-yl)pyrimido[1,2-b]indazole
CID 172446151
8-Bromo-3-(1,1-dimethylbenzo[e]indol-2-yl)pyrimido[1,2-b]indazole
CID 172458280
6-Bromo-1-(6-fluoro-2-pyridinyl)indazole
CID 118664077
6-Bromo-5-fluoro-1-(6-methyl-2-pyridinyl)indazole
CID 118664475
6-Bromo-1-[6-(fluoromethyl)-2-pyridinyl]indazole
CID 130247330
6-bromo-1H-isoindole;6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2-chloro-6-(trifluoromethyl)pyridine
CID 157525699
(4-Bromo-2-methylphenyl)methanimine;6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2-chloro-6-(trifluoromethyl)pyridine
CID 158792863
6-bromo-1H-isoindole;6-bromo-1-[4-(trifluoromethyl)pyrimidin-2-yl]indazole;2-chloro-4-(trifluoromethyl)pyrimidine
CID 161484346
1-[2-[3-[2-(5-Bromo-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-5-fluorophenyl]ethynyl]indazole
CID 175737395
N-(3-bromo-5-fluorophenyl)-4-(1-methylindazol-5-yl)pyridin-2-amine
CID 178129734
1-[4-Bromo-6-[3-(bromomethyl)-5,6-dimethylindazol-1-yl]-2-pyridinyl]-3-(bromomethyl)-5,6-dimethylindazole
CID 90307006
6-Bromo-5-methyl-1-(6-methyl-2-pyridinyl)-1h-indazole
CID 118664113

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methyl-1H-isoindole;6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine?
The IUPAC name of 6-bromo-5-methyl-1H-isoindole;6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine (CID 158843850) is 6-bromo-5-methyl-1H-isoindole;6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine.
What is the SMILES notation for 6-bromo-5-methyl-1H-isoindole;6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine?
The canonical SMILES for 6-bromo-5-methyl-1H-isoindole;6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine is Cc1cc2c(cc1Br)CN=C2.Cc1cccc(-n2ncc3cc(C)c(Br)cc32)n1.Cc1cccc(F)n1.
What is the InChIKey of 6-bromo-5-methyl-1H-isoindole;6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine?
The InChIKey is IYOSHNJLDDMOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3.C9H8BrN.C6H6FN/c1-9-6-11-8-16-18(13(11)7-12(9)15)14-5-3-4-10(2)17-14;1-6-2-7-4-11-5-8(7)3-9(6)10;1-5-3-2-4-6(7)8-5/h3-8H,1-2H3;2-4H,5H2,1H3;2-4H,1H3.
What are the key properties of 6-bromo-5-methyl-1H-isoindole;6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine?
6-bromo-5-methyl-1H-isoindole;6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine has a molecular weight of 623.37 g/mol, XLogP of 8.02, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methyl-1H-isoindole;6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine is sourced from PubChem (CID 158843850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).