2-(3-bromophenyl)pyridine;molecular iodine;3-pyridin-2-ylaniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;triiodide;hydroiodide

C45H37BrI6N5- — CID 160615721

IUPAC2-(3-bromophenyl)pyridine;molecular iodine;3-pyridin-2-ylaniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;triiodide;hydroiodide
SMILESBrc1cccc(-c2ccccn2)c1.I.II.I[I-]I.Nc1cccc(-c2ccccn2)c1.c1ccc(-c2cccc(Cc3cccc(-c4ccccn4)c3)c2)nc1
InChIInChI=1S/C23H18N2.C11H8BrN.C11H10N2.I3.I2.HI/c1-3-13-24-22(11-1)20-9-5-7-18(16-20)15-19-8-6-10-21(17-19)23-12-2-4-14-25-23;2*12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;1-3-2;1-2;/h1-14,16-17H,15H2;1-8H;1-8H,12H2;;;1H/q;;;-1;;
InChIKeyWCZWNDTYMXPHAY-UHFFFAOYSA-N
MW1489.15 g/mol
LogP12.41
Rot. Bonds6

About 2-(3-bromophenyl)pyridine;molecular iodine;3-pyridin-2-ylaniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;triiodide;hydroiodide

2-(3-bromophenyl)pyridine;molecular iodine;3-pyridin-2-ylaniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;triiodide;hydroiodide (PubChem CID 160615721) has the molecular formula C45H37BrI6N5- and a molecular weight of 1489.15 g/mol. Its IUPAC name is 2-(3-bromophenyl)pyridine;molecular iodine;3-pyridin-2-ylaniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;triiodide;hydroiodide.

Molecular Properties

Compound Name2-(3-bromophenyl)pyridine;molecular iodine;3-pyridin-2-ylaniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;triiodide;hydroiodide
PubChem CID160615721
Molecular FormulaC45H37BrI6N5-
Molecular Weight1489.15 g/mol
Exact Mass1487.65
IUPAC Name2-(3-bromophenyl)pyridine;molecular iodine;3-pyridin-2-ylaniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;triiodide;hydroiodide
SMILESBrc1cccc(-c2ccccn2)c1.I.II.I[I-]I.Nc1cccc(-c2ccccn2)c1.c1ccc(-c2cccc(Cc3cccc(-c4ccccn4)c3)c2)nc1
InChIInChI=1S/C23H18N2.C11H8BrN.C11H10N2.I3.I2.HI/c1-3-13-24-22(11-1)20-9-5-7-18(16-20)15-19-8-6-10-21(17-19)23-12-2-4-14-25-23;2*12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;1-3-2;1-2;/h1-14,16-17H,15H2;1-8H;1-8H,12H2;;;1H/q;;;-1;;
InChIKeyWCZWNDTYMXPHAY-UHFFFAOYSA-N
XLogP12.41
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001489.15
LogP ≤ 512.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Tris(6-(3-(pyridin-3-yl)phenyl)pyridin-2-yl)benzene
CID 102128661
(6-Methyl-3-pyridinyl)boronic acid;2-[3-[3-[3-(6-methyl-3-pyridinyl)phenyl]-5-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine;1,3,5-tris(3-bromophenyl)benzene
CID 157242619
5-Bromo-2-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]pyridine
CID 101526146
5-[2-[3,5-Bis[2-[6-(3-bromo-4-fluorophenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-bromo-4-fluorophenyl)pyridine
CID 140838547
2-[4-[2-[3,5-Bis[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-5-(4-fluorophenyl)-4-methylpyridine
CID 140838804
2-[4-[2-[3,5-Bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-5-(4-fluorophenyl)-4-methylpyridine
CID 141674160
2-[3-[3-(3,5-Dipyridin-2-ylphenyl)phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 11981801
Tris(2-(3-bromophenyl)pyridine);iridium(3+)
CID 17836206
Tris(2-(3-bromophenyl)pyridine);gold(3+);2-phenylpyridine
CID 17836220
2-(2-Bromophenyl)pyridine;iridium(3+);bis(2-phenylpyridine)
CID 17925161
Bis(2-(2-bromophenyl)pyridine);iridium(3+);2-phenylpyridine
CID 23432437
Tris(2-(2-bromophenyl)pyridine);iridium(3+)
CID 23432438

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)pyridine;molecular iodine;3-pyridin-2-ylaniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;triiodide;hydroiodide?
The IUPAC name of 2-(3-bromophenyl)pyridine;molecular iodine;3-pyridin-2-ylaniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;triiodide;hydroiodide (CID 160615721) is 2-(3-bromophenyl)pyridine;molecular iodine;3-pyridin-2-ylaniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;triiodide;hydroiodide.
What is the SMILES notation for 2-(3-bromophenyl)pyridine;molecular iodine;3-pyridin-2-ylaniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;triiodide;hydroiodide?
The canonical SMILES for 2-(3-bromophenyl)pyridine;molecular iodine;3-pyridin-2-ylaniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;triiodide;hydroiodide is Brc1cccc(-c2ccccn2)c1.I.II.I[I-]I.Nc1cccc(-c2ccccn2)c1.c1ccc(-c2cccc(Cc3cccc(-c4ccccn4)c3)c2)nc1.
What is the InChIKey of 2-(3-bromophenyl)pyridine;molecular iodine;3-pyridin-2-ylaniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;triiodide;hydroiodide?
The InChIKey is WCZWNDTYMXPHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2.C11H8BrN.C11H10N2.I3.I2.HI/c1-3-13-24-22(11-1)20-9-5-7-18(16-20)15-19-8-6-10-21(17-19)23-12-2-4-14-25-23;2*12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;1-3-2;1-2;/h1-14,16-17H,15H2;1-8H;1-8H,12H2;;;1H/q;;;-1;;.
What are the key properties of 2-(3-bromophenyl)pyridine;molecular iodine;3-pyridin-2-ylaniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;triiodide;hydroiodide?
2-(3-bromophenyl)pyridine;molecular iodine;3-pyridin-2-ylaniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;triiodide;hydroiodide has a molecular weight of 1489.15 g/mol, XLogP of 12.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)pyridine;molecular iodine;3-pyridin-2-ylaniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;triiodide;hydroiodide is sourced from PubChem (CID 160615721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).