5-bromo-2-phenylpyridine;(2-methylphenyl)boronic acid;5-(2-methylphenyl)-2-phenylpyridine

C36H32BBrN2O2 — CID 157430511

IUPAC5-bromo-2-phenylpyridine;(2-methylphenyl)boronic acid;5-(2-methylphenyl)-2-phenylpyridine
SMILESBrc1ccc(-c2ccccc2)nc1.Cc1ccccc1-c1ccc(-c2ccccc2)nc1.Cc1ccccc1B(O)O
InChIInChI=1S/C18H15N.C11H8BrN.C7H9BO2/c1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;12-10-6-7-11(13-8-10)9-4-2-1-3-5-9;1-6-4-2-3-5-7(6)8(9)10/h2-13H,1H3;1-8H;2-5,9-10H,1H3
InChIKeyBQLYXICGWMATRV-UHFFFAOYSA-N
MW615.38 g/mol
LogP7.91
Rot. Bonds4

About 5-bromo-2-phenylpyridine;(2-methylphenyl)boronic acid;5-(2-methylphenyl)-2-phenylpyridine

5-bromo-2-phenylpyridine;(2-methylphenyl)boronic acid;5-(2-methylphenyl)-2-phenylpyridine (PubChem CID 157430511) has the molecular formula C36H32BBrN2O2 and a molecular weight of 615.38 g/mol. Its IUPAC name is 5-bromo-2-phenylpyridine;(2-methylphenyl)boronic acid;5-(2-methylphenyl)-2-phenylpyridine.

Molecular Properties

Compound Name5-bromo-2-phenylpyridine;(2-methylphenyl)boronic acid;5-(2-methylphenyl)-2-phenylpyridine
PubChem CID157430511
Molecular FormulaC36H32BBrN2O2
Molecular Weight615.38 g/mol
Exact Mass614.17
IUPAC Name5-bromo-2-phenylpyridine;(2-methylphenyl)boronic acid;5-(2-methylphenyl)-2-phenylpyridine
SMILESBrc1ccc(-c2ccccc2)nc1.Cc1ccccc1-c1ccc(-c2ccccc2)nc1.Cc1ccccc1B(O)O
InChIInChI=1S/C18H15N.C11H8BrN.C7H9BO2/c1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;12-10-6-7-11(13-8-10)9-4-2-1-3-5-9;1-6-4-2-3-5-7(6)8(9)10/h2-13H,1H3;1-8H;2-5,9-10H,1H3
InChIKeyBQLYXICGWMATRV-UHFFFAOYSA-N
XLogP7.91
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.38
LogP ≤ 57.91
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

(NE)-N-[3-(4-bromophenyl)-3-(2-methylphenyl)-1-pyridin-4-ylpropylidene]hydroxylamine
CID 136166933
(NE)-N-[3-(4-bromophenyl)-3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)propylidene]hydroxylamine
CID 136167006
4'-(4-Bromophenyl)-2,2':6',2''-terpyridine
CID 10762837
5-Bromo-2-(2-methylphenyl)pyridine
CID 13128385
2-[2-(4-Bromophenyl)phenyl]pyridine
CID 102296511
5-(4-Bromophenyl)-2,2'-bipyridine
CID 12186608
6-(4-Bromophenyl)-4-(4-fluorophenyl)-2,2'-bipyridine
CID 73891082
2-(4-Bromo-2'-(5-fluoropyridin-2-yl)-4'-(trimethylsilyl)-[1,1'-biphenyl]-2-yl)-3-methylpyridine
CID 155908956
2-(4-Bromo-4'-(tert-butyl)-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-methylpyridine
CID 155908957
2-(5-Bromo-2-pyridinyl)-5-hexylpyridine
CID 11758980
2-[2-Methyl-6-(3-methyl-2-pyridin-2-ylphenyl)phenyl]pyridine
CID 101422909
1-[(4-Bromophenyl)methyl]isoquinoline
CID 9835876

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenylpyridine;(2-methylphenyl)boronic acid;5-(2-methylphenyl)-2-phenylpyridine?
The IUPAC name of 5-bromo-2-phenylpyridine;(2-methylphenyl)boronic acid;5-(2-methylphenyl)-2-phenylpyridine (CID 157430511) is 5-bromo-2-phenylpyridine;(2-methylphenyl)boronic acid;5-(2-methylphenyl)-2-phenylpyridine.
What is the SMILES notation for 5-bromo-2-phenylpyridine;(2-methylphenyl)boronic acid;5-(2-methylphenyl)-2-phenylpyridine?
The canonical SMILES for 5-bromo-2-phenylpyridine;(2-methylphenyl)boronic acid;5-(2-methylphenyl)-2-phenylpyridine is Brc1ccc(-c2ccccc2)nc1.Cc1ccccc1-c1ccc(-c2ccccc2)nc1.Cc1ccccc1B(O)O.
What is the InChIKey of 5-bromo-2-phenylpyridine;(2-methylphenyl)boronic acid;5-(2-methylphenyl)-2-phenylpyridine?
The InChIKey is BQLYXICGWMATRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N.C11H8BrN.C7H9BO2/c1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;12-10-6-7-11(13-8-10)9-4-2-1-3-5-9;1-6-4-2-3-5-7(6)8(9)10/h2-13H,1H3;1-8H;2-5,9-10H,1H3.
What are the key properties of 5-bromo-2-phenylpyridine;(2-methylphenyl)boronic acid;5-(2-methylphenyl)-2-phenylpyridine?
5-bromo-2-phenylpyridine;(2-methylphenyl)boronic acid;5-(2-methylphenyl)-2-phenylpyridine has a molecular weight of 615.38 g/mol, XLogP of 7.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenylpyridine;(2-methylphenyl)boronic acid;5-(2-methylphenyl)-2-phenylpyridine is sourced from PubChem (CID 157430511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).