3-(4-bromophenyl)pyridine;deuterium monohydride;methane;(4-pyridin-3-ylphenyl)boronic acid

C23H24BBrN2O2 — CID 161239163

IUPAC3-(4-bromophenyl)pyridine;deuterium monohydride;methane;(4-pyridin-3-ylphenyl)boronic acid
SMILESBrc1ccc(-c2cccnc2)cc1.C.OB(O)c1ccc(-c2cccnc2)cc1.[H][2H]
InChIInChI=1S/C11H10BNO2.C11H8BrN.CH4.H2/c14-12(15)11-5-3-9(4-6-11)10-2-1-7-13-8-10;12-11-5-3-9(4-6-11)10-2-1-7-13-8-10;;/h1-8,14-15H;1-8H;1H4;1H/i;;;1+1
InChIKeyUZTQIJHVBZCZEU-SGNQUONSSA-N
MW452.18 g/mol
LogP4.82
Rot. Bonds3

About 3-(4-bromophenyl)pyridine;deuterium monohydride;methane;(4-pyridin-3-ylphenyl)boronic acid

3-(4-bromophenyl)pyridine;deuterium monohydride;methane;(4-pyridin-3-ylphenyl)boronic acid (PubChem CID 161239163) has the molecular formula C23H24BBrN2O2 and a molecular weight of 452.18 g/mol. Its IUPAC name is 3-(4-bromophenyl)pyridine;deuterium monohydride;methane;(4-pyridin-3-ylphenyl)boronic acid.

Molecular Properties

Compound Name3-(4-bromophenyl)pyridine;deuterium monohydride;methane;(4-pyridin-3-ylphenyl)boronic acid
PubChem CID161239163
Molecular FormulaC23H24BBrN2O2
Molecular Weight452.18 g/mol
Exact Mass451.12
IUPAC Name3-(4-bromophenyl)pyridine;deuterium monohydride;methane;(4-pyridin-3-ylphenyl)boronic acid
SMILESBrc1ccc(-c2cccnc2)cc1.C.OB(O)c1ccc(-c2cccnc2)cc1.[H][2H]
InChIInChI=1S/C11H10BNO2.C11H8BrN.CH4.H2/c14-12(15)11-5-3-9(4-6-11)10-2-1-7-13-8-10;12-11-5-3-9(4-6-11)10-2-1-7-13-8-10;;/h1-8,14-15H;1-8H;1H4;1H/i;;;1+1
InChIKeyUZTQIJHVBZCZEU-SGNQUONSSA-N
XLogP4.82
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.18
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[(4-bromophenyl)sulfonyl]benzene;pyridin-3-ylboronic acid;3-[4-[4-(4-pyridin-3-ylphenyl)sulfonylphenyl]sulfonylphenyl]pyridine
CID 157120466
(4-tert-butylphenyl)boronic acid;3-(4-tert-butylphenyl)pyridine
CID 165063634
1-bromo-4-(4-bromophenyl)benzene;[4-(4-bromophenyl)phenyl]boronic acid
CID 159137046
2-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155757980
3-azulen-6-ylpyridine
CID 86232079
N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide
CID 58858311
3-bromopyridine;(4-cyano-3-fluorophenyl)boronic acid;2-fluoro-4-pyridin-3-ylbenzonitrile
CID 160704289
cyclopenta[c]azepine
CID 638010
[4-(1,3-benzoxazol-2-yl)phenyl]boronic acid;2-[4-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-3-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2,3-bis(4-bromophenyl)-6-pyridin-3-ylpyridine
CID 157146017
methane;methyl 6-bromo-1H-indole-2-carboxylate;methyl 6-pyridin-3-yl-1H-indole-2-carboxylate;pyridin-3-ylboronic acid
CID 158556507
5-bromo-2-pyridin-3-yl-1,3-benzoxazole;(4-methoxyphenyl)boronic acid;5-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-benzoxazole
CID 160671675
CID 158374433
CID 158374433

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)pyridine;deuterium monohydride;methane;(4-pyridin-3-ylphenyl)boronic acid?
The IUPAC name of 3-(4-bromophenyl)pyridine;deuterium monohydride;methane;(4-pyridin-3-ylphenyl)boronic acid (CID 161239163) is 3-(4-bromophenyl)pyridine;deuterium monohydride;methane;(4-pyridin-3-ylphenyl)boronic acid.
What is the SMILES notation for 3-(4-bromophenyl)pyridine;deuterium monohydride;methane;(4-pyridin-3-ylphenyl)boronic acid?
The canonical SMILES for 3-(4-bromophenyl)pyridine;deuterium monohydride;methane;(4-pyridin-3-ylphenyl)boronic acid is Brc1ccc(-c2cccnc2)cc1.C.OB(O)c1ccc(-c2cccnc2)cc1.[H][2H].
What is the InChIKey of 3-(4-bromophenyl)pyridine;deuterium monohydride;methane;(4-pyridin-3-ylphenyl)boronic acid?
The InChIKey is UZTQIJHVBZCZEU-SGNQUONSSA-N. The full InChI is InChI=1S/C11H10BNO2.C11H8BrN.CH4.H2/c14-12(15)11-5-3-9(4-6-11)10-2-1-7-13-8-10;12-11-5-3-9(4-6-11)10-2-1-7-13-8-10;;/h1-8,14-15H;1-8H;1H4;1H/i;;;1+1.
What are the key properties of 3-(4-bromophenyl)pyridine;deuterium monohydride;methane;(4-pyridin-3-ylphenyl)boronic acid?
3-(4-bromophenyl)pyridine;deuterium monohydride;methane;(4-pyridin-3-ylphenyl)boronic acid has a molecular weight of 452.18 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)pyridine;deuterium monohydride;methane;(4-pyridin-3-ylphenyl)boronic acid is sourced from PubChem (CID 161239163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).