2-bromopyridine;3-(1,3,2-dioxaborolan-2-yl)-9-methylcarbazole;9-methyl-3-pyridin-2-ylcarbazole

C38H32BBrN4O2 — CID 158222183

IUPAC2-bromopyridine;3-(1,3,2-dioxaborolan-2-yl)-9-methylcarbazole;9-methyl-3-pyridin-2-ylcarbazole
SMILESBrc1ccccn1.Cn1c2ccccc2c2cc(-c3ccccn3)ccc21.Cn1c2ccccc2c2cc(B3OCCO3)ccc21
InChIInChI=1S/C18H14N2.C15H14BNO2.C5H4BrN/c1-20-17-8-3-2-6-14(17)15-12-13(9-10-18(15)20)16-7-4-5-11-19-16;1-17-14-5-3-2-4-12(14)13-10-11(6-7-15(13)17)16-18-8-9-19-16;6-5-3-1-2-4-7-5/h2-12H,1H3;2-7,10H,8-9H2,1H3;1-4H
InChIKeyGDJHMHPLYAWWPN-UHFFFAOYSA-N
MW667.42 g/mol
LogP8.31
Rot. Bonds2

About 2-bromopyridine;3-(1,3,2-dioxaborolan-2-yl)-9-methylcarbazole;9-methyl-3-pyridin-2-ylcarbazole

2-bromopyridine;3-(1,3,2-dioxaborolan-2-yl)-9-methylcarbazole;9-methyl-3-pyridin-2-ylcarbazole (PubChem CID 158222183) has the molecular formula C38H32BBrN4O2 and a molecular weight of 667.42 g/mol. Its IUPAC name is 2-bromopyridine;3-(1,3,2-dioxaborolan-2-yl)-9-methylcarbazole;9-methyl-3-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-bromopyridine;3-(1,3,2-dioxaborolan-2-yl)-9-methylcarbazole;9-methyl-3-pyridin-2-ylcarbazole
PubChem CID158222183
Molecular FormulaC38H32BBrN4O2
Molecular Weight667.42 g/mol
Exact Mass666.18
IUPAC Name2-bromopyridine;3-(1,3,2-dioxaborolan-2-yl)-9-methylcarbazole;9-methyl-3-pyridin-2-ylcarbazole
SMILESBrc1ccccn1.Cn1c2ccccc2c2cc(-c3ccccn3)ccc21.Cn1c2ccccc2c2cc(B3OCCO3)ccc21
InChIInChI=1S/C18H14N2.C15H14BNO2.C5H4BrN/c1-20-17-8-3-2-6-14(17)15-12-13(9-10-18(15)20)16-7-4-5-11-19-16;1-17-14-5-3-2-4-12(14)13-10-11(6-7-15(13)17)16-18-8-9-19-16;6-5-3-1-2-4-7-5/h2-12H,1H3;2-7,10H,8-9H2,1H3;1-4H
InChIKeyGDJHMHPLYAWWPN-UHFFFAOYSA-N
XLogP8.31
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.42
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[bromo-[2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]methyl]-8-fluoro-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 70260238
9-(4-Fluorophenyl)-3-[9-(4-fluorophenyl)-6-[9-(4-fluorophenyl)-6-(5-methyl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]-6-(4-methyl-2-pyridinyl)carbazole
CID 88863161
6H-Pyrido[4, 2,2'-(1,8-octanediyl)bis[6-(2-hydroxyethyl)-5,11-dimethyl-, dibromide
CID 54598578
9-[(3R)-3,7-dimethyloctyl]-3-[2-[2-[4-[2-[9-[(3R)-3,7-dimethyloctyl]carbazol-3-yl]ethynyl]-2-pyridinyl]-4-pyridinyl]ethynyl]carbazole
CID 102443194
3,5-Bis(9-octyl-9H-carbazole-3-yl)pyridine
CID 122216627
7,9-Bis(2,6-dimethylphenyl)-2,4-dimethylpyrido[1,2-a]indole
CID 139182591
iridium(3+);tris(9-(4-methylphenyl)-3-pyridin-2-yl-2H-carbazol-2-ide)
CID 139253791
6,6'-bis(4-(9H-carbazol-9-yl)phenyl)-3,3'-bipyridine
CID 56943730
9-Phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole
CID 56943928
9-methyl-3-[(E)-2-[1-[2-[2-[4-[(E)-2-(9-methylcarbazol-3-yl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]carbazole
CID 57693956
8-Phenyl-5-[4-[[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]methyl]phenyl]pyrido[4,3-b]indole
CID 57816027
3-(3-Pyridin-3-ylphenyl)-9-[3-[3-(3-pyridin-3-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 57958272

Frequently Asked Questions

What is the IUPAC name of 2-bromopyridine;3-(1,3,2-dioxaborolan-2-yl)-9-methylcarbazole;9-methyl-3-pyridin-2-ylcarbazole?
The IUPAC name of 2-bromopyridine;3-(1,3,2-dioxaborolan-2-yl)-9-methylcarbazole;9-methyl-3-pyridin-2-ylcarbazole (CID 158222183) is 2-bromopyridine;3-(1,3,2-dioxaborolan-2-yl)-9-methylcarbazole;9-methyl-3-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-bromopyridine;3-(1,3,2-dioxaborolan-2-yl)-9-methylcarbazole;9-methyl-3-pyridin-2-ylcarbazole?
The canonical SMILES for 2-bromopyridine;3-(1,3,2-dioxaborolan-2-yl)-9-methylcarbazole;9-methyl-3-pyridin-2-ylcarbazole is Brc1ccccn1.Cn1c2ccccc2c2cc(-c3ccccn3)ccc21.Cn1c2ccccc2c2cc(B3OCCO3)ccc21.
What is the InChIKey of 2-bromopyridine;3-(1,3,2-dioxaborolan-2-yl)-9-methylcarbazole;9-methyl-3-pyridin-2-ylcarbazole?
The InChIKey is GDJHMHPLYAWWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2.C15H14BNO2.C5H4BrN/c1-20-17-8-3-2-6-14(17)15-12-13(9-10-18(15)20)16-7-4-5-11-19-16;1-17-14-5-3-2-4-12(14)13-10-11(6-7-15(13)17)16-18-8-9-19-16;6-5-3-1-2-4-7-5/h2-12H,1H3;2-7,10H,8-9H2,1H3;1-4H.
What are the key properties of 2-bromopyridine;3-(1,3,2-dioxaborolan-2-yl)-9-methylcarbazole;9-methyl-3-pyridin-2-ylcarbazole?
2-bromopyridine;3-(1,3,2-dioxaborolan-2-yl)-9-methylcarbazole;9-methyl-3-pyridin-2-ylcarbazole has a molecular weight of 667.42 g/mol, XLogP of 8.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopyridine;3-(1,3,2-dioxaborolan-2-yl)-9-methylcarbazole;9-methyl-3-pyridin-2-ylcarbazole is sourced from PubChem (CID 158222183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).