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

C40H32Br3FN8 — CID 160513470

IUPAC6-bromo-1H-isoindole;6-bromo-1-(6-methyl-2-pyridinyl)indazole;6-bromo-2-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine
SMILESBrc1ccc2c(c1)CN=C2.Cc1cccc(-n2cc3ccc(Br)cc3n2)n1.Cc1cccc(-n2ncc3ccc(Br)cc32)n1.Cc1cccc(F)n1
InChIInChI=1S/2C13H10BrN3.C8H6BrN.C6H6FN/c1-9-3-2-4-13(15-9)17-8-10-5-6-11(14)7-12(10)16-17;1-9-3-2-4-13(16-9)17-12-7-11(14)6-5-10(12)8-15-17;9-8-2-1-6-4-10-5-7(6)3-8;1-5-3-2-4-6(7)8-5/h2*2-8H,1H3;1-4H,5H2;2-4H,1H3
InChIKeyQTINJLHAVLEVFW-UHFFFAOYSA-N
MW883.46 g/mol
LogP10.89
Rot. Bonds2

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

6-bromo-1H-isoindole;6-bromo-1-(6-methyl-2-pyridinyl)indazole;6-bromo-2-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine (PubChem CID 160513470) has the molecular formula C40H32Br3FN8 and a molecular weight of 883.46 g/mol. Its IUPAC name is 6-bromo-1H-isoindole;6-bromo-1-(6-methyl-2-pyridinyl)indazole;6-bromo-2-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine.

Molecular Properties

Compound Name6-bromo-1H-isoindole;6-bromo-1-(6-methyl-2-pyridinyl)indazole;6-bromo-2-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine
PubChem CID160513470
Molecular FormulaC40H32Br3FN8
Molecular Weight883.46 g/mol
Exact Mass880.03
IUPAC Name6-bromo-1H-isoindole;6-bromo-1-(6-methyl-2-pyridinyl)indazole;6-bromo-2-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine
SMILESBrc1ccc2c(c1)CN=C2.Cc1cccc(-n2cc3ccc(Br)cc3n2)n1.Cc1cccc(-n2ncc3ccc(Br)cc32)n1.Cc1cccc(F)n1
InChIInChI=1S/2C13H10BrN3.C8H6BrN.C6H6FN/c1-9-3-2-4-13(15-9)17-8-10-5-6-11(14)7-12(10)16-17;1-9-3-2-4-13(16-9)17-12-7-11(14)6-5-10(12)8-15-17;9-8-2-1-6-4-10-5-7(6)3-8;1-5-3-2-4-6(7)8-5/h2*2-8H,1H3;1-4H,5H2;2-4H,1H3
InChIKeyQTINJLHAVLEVFW-UHFFFAOYSA-N
XLogP10.89
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.46
LogP ≤ 510.89
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;6-bromo-1-(6-methyl-2-pyridinyl)indazole;6-bromo-2-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine with MolForge

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Related Compounds

6-Bromo-2-(6-fluoro-2-pyridinyl)indazole
CID 118664447
6-Bromo-5-fluoro-1-(6-methyl-2-pyridinyl)indazole
CID 118664475
7-bromo-1-[(3R,4S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylpiperidin-1-yl]isoquinoline
CID 142341200
7-bromo-1-[(3S,4R)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylpiperidin-1-yl]isoquinoline
CID 142341214
7-bromo-1-[(4R)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylpiperidin-1-yl]isoquinoline
CID 155372838
6-bromo-4-[6-[[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 156894928
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
6-Bromo-4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 166792894
6-bromo-4-[6-[[(1S)-1-[4-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 166793041
1-[2-[3-[2-(5-Bromo-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-5-fluorophenyl]ethynyl]indazole
CID 175737395

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-isoindole;6-bromo-1-(6-methyl-2-pyridinyl)indazole;6-bromo-2-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine?
The IUPAC name of 6-bromo-1H-isoindole;6-bromo-1-(6-methyl-2-pyridinyl)indazole;6-bromo-2-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine (CID 160513470) is 6-bromo-1H-isoindole;6-bromo-1-(6-methyl-2-pyridinyl)indazole;6-bromo-2-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine.
What is the SMILES notation for 6-bromo-1H-isoindole;6-bromo-1-(6-methyl-2-pyridinyl)indazole;6-bromo-2-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine?
The canonical SMILES for 6-bromo-1H-isoindole;6-bromo-1-(6-methyl-2-pyridinyl)indazole;6-bromo-2-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine is Brc1ccc2c(c1)CN=C2.Cc1cccc(-n2cc3ccc(Br)cc3n2)n1.Cc1cccc(-n2ncc3ccc(Br)cc32)n1.Cc1cccc(F)n1.
What is the InChIKey of 6-bromo-1H-isoindole;6-bromo-1-(6-methyl-2-pyridinyl)indazole;6-bromo-2-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine?
The InChIKey is QTINJLHAVLEVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H10BrN3.C8H6BrN.C6H6FN/c1-9-3-2-4-13(15-9)17-8-10-5-6-11(14)7-12(10)16-17;1-9-3-2-4-13(16-9)17-12-7-11(14)6-5-10(12)8-15-17;9-8-2-1-6-4-10-5-7(6)3-8;1-5-3-2-4-6(7)8-5/h2*2-8H,1H3;1-4H,5H2;2-4H,1H3.
What are the key properties of 6-bromo-1H-isoindole;6-bromo-1-(6-methyl-2-pyridinyl)indazole;6-bromo-2-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine?
6-bromo-1H-isoindole;6-bromo-1-(6-methyl-2-pyridinyl)indazole;6-bromo-2-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine has a molecular weight of 883.46 g/mol, XLogP of 10.89, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-isoindole;6-bromo-1-(6-methyl-2-pyridinyl)indazole;6-bromo-2-(6-methyl-2-pyridinyl)indazole;2-fluoro-6-methylpyridine is sourced from PubChem (CID 160513470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).