dilithium;3-bromobenzaldehyde;2-[(3-bromophenyl)-fluoromethyl]-6-phenylpyridine;(3-bromophenyl)-(6-phenyl-2-pyridinyl)methanol;2-bromo-6-phenylpyridine;2-bromopyridine;butane;[3-[fluoro-(6-phenyl-2-pyridinyl)methyl]phenyl]boronic acid;2-[fluoro-(3-pyridin-2-ylphenyl)methyl]-6-phenylpyridine;oxolane;6-phenyl-2H-pyridin-2-ide

C123H109BBr5F3Li2N8O6 — CID 158083971

IUPACdilithium;3-bromobenzaldehyde;2-[(3-bromophenyl)-fluoromethyl]-6-phenylpyridine;(3-bromophenyl)-(6-phenyl-2-pyridinyl)methanol;2-bromo-6-phenylpyridine;2-bromopyridine;butane;[3-[fluoro-(6-phenyl-2-pyridinyl)methyl]phenyl]boronic acid;2-[fluoro-(3-pyridin-2-ylphenyl)methyl]-6-phenylpyridine;oxolane;6-phenyl-2H-pyridin-2-ide
SMILESBrc1cccc(-c2ccccc2)n1.Brc1ccccn1.C1CCOC1.C1CCOC1.FC(c1cccc(-c2ccccn2)c1)c1cccc(-c2ccccc2)n1.FC(c1cccc(Br)c1)c1cccc(-c2ccccc2)n1.O=Cc1cccc(Br)c1.OB(O)c1cccc(C(F)c2cccc(-c3ccccc3)n2)c1.OC(c1cccc(Br)c1)c1cccc(-c2ccccc2)n1.[CH2-]CCC.[Li+].[Li+].[c-]1cccc(-c2ccccc2)n1
InChIInChI=1S/C23H17FN2.C18H15BFNO2.C18H13BrFN.C18H14BrNO.C11H8BrN.C11H8N.C7H5BrO.C5H4BrN.2C4H8O.C4H9.2Li/c24-23(19-11-6-10-18(16-19)20-12-4-5-15-25-20)22-14-7-13-21(26-22)17-8-2-1-3-9-17;20-18(14-8-4-9-15(12-14)19(22)23)17-11-5-10-16(21-17)13-6-2-1-3-7-13;19-15-9-4-8-14(12-15)18(20)17-11-5-10-16(21-17)13-6-2-1-3-7-13;19-15-9-4-8-14(12-15)18(21)17-11-5-10-16(20-17)13-6-2-1-3-7-13;12-11-8-4-7-10(13-11)9-5-2-1-3-6-9;1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-7-3-1-2-6(4-7)5-9;6-5-3-1-2-4-7-5;2*1-2-4-5-3-1;1-3-4-2;;/h1-16,23H;1-12,18,22-23H;1-12,18H;1-12,18,21H;1-8H;1-8H;1-5H;1-4H;2*1-4H2;1,3-4H2,2H3;;/q;;;;;-1;;;;;-1;2*+1
InChIKeyONLSDLZIWNNDOZ-UHFFFAOYSA-N
MW2276.48 g/mol
LogP25.91
Rot. Bonds18

About dilithium;3-bromobenzaldehyde;2-[(3-bromophenyl)-fluoromethyl]-6-phenylpyridine;(3-bromophenyl)-(6-phenyl-2-pyridinyl)methanol;2-bromo-6-phenylpyridine;2-bromopyridine;butane;[3-[fluoro-(6-phenyl-2-pyridinyl)methyl]phenyl]boronic acid;2-[fluoro-(3-pyridin-2-ylphenyl)methyl]-6-phenylpyridine;oxolane;6-phenyl-2H-pyridin-2-ide

dilithium;3-bromobenzaldehyde;2-[(3-bromophenyl)-fluoromethyl]-6-phenylpyridine;(3-bromophenyl)-(6-phenyl-2-pyridinyl)methanol;2-bromo-6-phenylpyridine;2-bromopyridine;butane;[3-[fluoro-(6-phenyl-2-pyridinyl)methyl]phenyl]boronic acid;2-[fluoro-(3-pyridin-2-ylphenyl)methyl]-6-phenylpyridine;oxolane;6-phenyl-2H-pyridin-2-ide (PubChem CID 158083971) has the molecular formula C123H109BBr5F3Li2N8O6 and a molecular weight of 2276.48 g/mol. Its IUPAC name is dilithium;3-bromobenzaldehyde;2-[(3-bromophenyl)-fluoromethyl]-6-phenylpyridine;(3-bromophenyl)-(6-phenyl-2-pyridinyl)methanol;2-bromo-6-phenylpyridine;2-bromopyridine;butane;[3-[fluoro-(6-phenyl-2-pyridinyl)methyl]phenyl]boronic acid;2-[fluoro-(3-pyridin-2-ylphenyl)methyl]-6-phenylpyridine;oxolane;6-phenyl-2H-pyridin-2-ide.

Molecular Properties

Compound Namedilithium;3-bromobenzaldehyde;2-[(3-bromophenyl)-fluoromethyl]-6-phenylpyridine;(3-bromophenyl)-(6-phenyl-2-pyridinyl)methanol;2-bromo-6-phenylpyridine;2-bromopyridine;butane;[3-[fluoro-(6-phenyl-2-pyridinyl)methyl]phenyl]boronic acid;2-[fluoro-(3-pyridin-2-ylphenyl)methyl]-6-phenylpyridine;oxolane;6-phenyl-2H-pyridin-2-ide
PubChem CID158083971
Molecular FormulaC123H109BBr5F3Li2N8O6
Molecular Weight2276.48 g/mol
Exact Mass2270.48
IUPAC Namedilithium;3-bromobenzaldehyde;2-[(3-bromophenyl)-fluoromethyl]-6-phenylpyridine;(3-bromophenyl)-(6-phenyl-2-pyridinyl)methanol;2-bromo-6-phenylpyridine;2-bromopyridine;butane;[3-[fluoro-(6-phenyl-2-pyridinyl)methyl]phenyl]boronic acid;2-[fluoro-(3-pyridin-2-ylphenyl)methyl]-6-phenylpyridine;oxolane;6-phenyl-2H-pyridin-2-ide
SMILESBrc1cccc(-c2ccccc2)n1.Brc1ccccn1.C1CCOC1.C1CCOC1.FC(c1cccc(-c2ccccn2)c1)c1cccc(-c2ccccc2)n1.FC(c1cccc(Br)c1)c1cccc(-c2ccccc2)n1.O=Cc1cccc(Br)c1.OB(O)c1cccc(C(F)c2cccc(-c3ccccc3)n2)c1.OC(c1cccc(Br)c1)c1cccc(-c2ccccc2)n1.[CH2-]CCC.[Li+].[Li+].[c-]1cccc(-c2ccccc2)n1
InChIInChI=1S/C23H17FN2.C18H15BFNO2.C18H13BrFN.C18H14BrNO.C11H8BrN.C11H8N.C7H5BrO.C5H4BrN.2C4H8O.C4H9.2Li/c24-23(19-11-6-10-18(16-19)20-12-4-5-15-25-20)22-14-7-13-21(26-22)17-8-2-1-3-9-17;20-18(14-8-4-9-15(12-14)19(22)23)17-11-5-10-16(21-17)13-6-2-1-3-7-13;19-15-9-4-8-14(12-15)18(20)17-11-5-10-16(21-17)13-6-2-1-3-7-13;19-15-9-4-8-14(12-15)18(21)17-11-5-10-16(20-17)13-6-2-1-3-7-13;12-11-8-4-7-10(13-11)9-5-2-1-3-6-9;1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-7-3-1-2-6(4-7)5-9;6-5-3-1-2-4-7-5;2*1-2-4-5-3-1;1-3-4-2;;/h1-16,23H;1-12,18,22-23H;1-12,18H;1-12,18,21H;1-8H;1-8H;1-5H;1-4H;2*1-4H2;1,3-4H2,2H3;;/q;;;;;-1;;;;;-1;2*+1
InChIKeyONLSDLZIWNNDOZ-UHFFFAOYSA-N
XLogP25.91
TPSA199.34 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002276.48
LogP ≤ 525.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze dilithium;3-bromobenzaldehyde;2-[(3-bromophenyl)-fluoromethyl]-6-phenylpyridine;(3-bromophenyl)-(6-phenyl-2-pyridinyl)methanol;2-bromo-6-phenylpyridine;2-bromopyridine;butane;[3-[fluoro-(6-phenyl-2-pyridinyl)methyl]phenyl]boronic acid;2-[fluoro-(3-pyridin-2-ylphenyl)methyl]-6-phenylpyridine;oxolane;6-phenyl-2H-pyridin-2-ide with MolForge

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Related Compounds

Acetaldehyde;2-bromopyridine;2-bromopyridine-4-carbaldehyde;ethane;bis([4-(hydroxymethyl)phenyl]boronic acid);4-pyridin-2-ylbenzaldehyde;bis((4-pyridin-2-ylphenyl)methanol)
CID 157734109
5-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-butan-2-ylpyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-ethenylpyridine;5-bromo-2-(1,3-dioxolan-2-yl)pyridine;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;5-bromopyridine-2-carbaldehyde;[6-(1,3-dioxolan-2-yl)-3-pyridinyl]boronic acid
CID 158416669

Frequently Asked Questions

What is the IUPAC name of dilithium;3-bromobenzaldehyde;2-[(3-bromophenyl)-fluoromethyl]-6-phenylpyridine;(3-bromophenyl)-(6-phenyl-2-pyridinyl)methanol;2-bromo-6-phenylpyridine;2-bromopyridine;butane;[3-[fluoro-(6-phenyl-2-pyridinyl)methyl]phenyl]boronic acid;2-[fluoro-(3-pyridin-2-ylphenyl)methyl]-6-phenylpyridine;oxolane;6-phenyl-2H-pyridin-2-ide?
The IUPAC name of dilithium;3-bromobenzaldehyde;2-[(3-bromophenyl)-fluoromethyl]-6-phenylpyridine;(3-bromophenyl)-(6-phenyl-2-pyridinyl)methanol;2-bromo-6-phenylpyridine;2-bromopyridine;butane;[3-[fluoro-(6-phenyl-2-pyridinyl)methyl]phenyl]boronic acid;2-[fluoro-(3-pyridin-2-ylphenyl)methyl]-6-phenylpyridine;oxolane;6-phenyl-2H-pyridin-2-ide (CID 158083971) is dilithium;3-bromobenzaldehyde;2-[(3-bromophenyl)-fluoromethyl]-6-phenylpyridine;(3-bromophenyl)-(6-phenyl-2-pyridinyl)methanol;2-bromo-6-phenylpyridine;2-bromopyridine;butane;[3-[fluoro-(6-phenyl-2-pyridinyl)methyl]phenyl]boronic acid;2-[fluoro-(3-pyridin-2-ylphenyl)methyl]-6-phenylpyridine;oxolane;6-phenyl-2H-pyridin-2-ide.
What is the SMILES notation for dilithium;3-bromobenzaldehyde;2-[(3-bromophenyl)-fluoromethyl]-6-phenylpyridine;(3-bromophenyl)-(6-phenyl-2-pyridinyl)methanol;2-bromo-6-phenylpyridine;2-bromopyridine;butane;[3-[fluoro-(6-phenyl-2-pyridinyl)methyl]phenyl]boronic acid;2-[fluoro-(3-pyridin-2-ylphenyl)methyl]-6-phenylpyridine;oxolane;6-phenyl-2H-pyridin-2-ide?
The canonical SMILES for dilithium;3-bromobenzaldehyde;2-[(3-bromophenyl)-fluoromethyl]-6-phenylpyridine;(3-bromophenyl)-(6-phenyl-2-pyridinyl)methanol;2-bromo-6-phenylpyridine;2-bromopyridine;butane;[3-[fluoro-(6-phenyl-2-pyridinyl)methyl]phenyl]boronic acid;2-[fluoro-(3-pyridin-2-ylphenyl)methyl]-6-phenylpyridine;oxolane;6-phenyl-2H-pyridin-2-ide is Brc1cccc(-c2ccccc2)n1.Brc1ccccn1.C1CCOC1.C1CCOC1.FC(c1cccc(-c2ccccn2)c1)c1cccc(-c2ccccc2)n1.FC(c1cccc(Br)c1)c1cccc(-c2ccccc2)n1.O=Cc1cccc(Br)c1.OB(O)c1cccc(C(F)c2cccc(-c3ccccc3)n2)c1.OC(c1cccc(Br)c1)c1cccc(-c2ccccc2)n1.[CH2-]CCC.[Li+].[Li+].[c-]1cccc(-c2ccccc2)n1.
What is the InChIKey of dilithium;3-bromobenzaldehyde;2-[(3-bromophenyl)-fluoromethyl]-6-phenylpyridine;(3-bromophenyl)-(6-phenyl-2-pyridinyl)methanol;2-bromo-6-phenylpyridine;2-bromopyridine;butane;[3-[fluoro-(6-phenyl-2-pyridinyl)methyl]phenyl]boronic acid;2-[fluoro-(3-pyridin-2-ylphenyl)methyl]-6-phenylpyridine;oxolane;6-phenyl-2H-pyridin-2-ide?
The InChIKey is ONLSDLZIWNNDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2.C18H15BFNO2.C18H13BrFN.C18H14BrNO.C11H8BrN.C11H8N.C7H5BrO.C5H4BrN.2C4H8O.C4H9.2Li/c24-23(19-11-6-10-18(16-19)20-12-4-5-15-25-20)22-14-7-13-21(26-22)17-8-2-1-3-9-17;20-18(14-8-4-9-15(12-14)19(22)23)17-11-5-10-16(21-17)13-6-2-1-3-7-13;19-15-9-4-8-14(12-15)18(20)17-11-5-10-16(21-17)13-6-2-1-3-7-13;19-15-9-4-8-14(12-15)18(21)17-11-5-10-16(20-17)13-6-2-1-3-7-13;12-11-8-4-7-10(13-11)9-5-2-1-3-6-9;1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-7-3-1-2-6(4-7)5-9;6-5-3-1-2-4-7-5;2*1-2-4-5-3-1;1-3-4-2;;/h1-16,23H;1-12,18,22-23H;1-12,18H;1-12,18,21H;1-8H;1-8H;1-5H;1-4H;2*1-4H2;1,3-4H2,2H3;;/q;;;;;-1;;;;;-1;2*+1.
What are the key properties of dilithium;3-bromobenzaldehyde;2-[(3-bromophenyl)-fluoromethyl]-6-phenylpyridine;(3-bromophenyl)-(6-phenyl-2-pyridinyl)methanol;2-bromo-6-phenylpyridine;2-bromopyridine;butane;[3-[fluoro-(6-phenyl-2-pyridinyl)methyl]phenyl]boronic acid;2-[fluoro-(3-pyridin-2-ylphenyl)methyl]-6-phenylpyridine;oxolane;6-phenyl-2H-pyridin-2-ide?
dilithium;3-bromobenzaldehyde;2-[(3-bromophenyl)-fluoromethyl]-6-phenylpyridine;(3-bromophenyl)-(6-phenyl-2-pyridinyl)methanol;2-bromo-6-phenylpyridine;2-bromopyridine;butane;[3-[fluoro-(6-phenyl-2-pyridinyl)methyl]phenyl]boronic acid;2-[fluoro-(3-pyridin-2-ylphenyl)methyl]-6-phenylpyridine;oxolane;6-phenyl-2H-pyridin-2-ide has a molecular weight of 2276.48 g/mol, XLogP of 25.91, 18 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;3-bromobenzaldehyde;2-[(3-bromophenyl)-fluoromethyl]-6-phenylpyridine;(3-bromophenyl)-(6-phenyl-2-pyridinyl)methanol;2-bromo-6-phenylpyridine;2-bromopyridine;butane;[3-[fluoro-(6-phenyl-2-pyridinyl)methyl]phenyl]boronic acid;2-[fluoro-(3-pyridin-2-ylphenyl)methyl]-6-phenylpyridine;oxolane;6-phenyl-2H-pyridin-2-ide is sourced from PubChem (CID 158083971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).