lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;hydroxide

C45H45BBrCl2F4LiN2O3 — CID 159728092

IUPAClithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;hydroxide
SMILESC.Cc1cc(Cl)cc(C)c1-c1ccc(-c2ccc(F)cc2F)nc1.Cc1cc(Cl)cc(C)c1B1OC(C)(C)C(C)(C)O1.Fc1ccc(-c2ccc(Br)cn2)c(F)c1.[Li+].[OH-]
InChIInChI=1S/C19H14ClF2N.C14H20BClO2.C11H6BrF2N.CH4.Li.H2O/c1-11-7-14(20)8-12(2)19(11)13-3-6-18(23-10-13)16-5-4-15(21)9-17(16)22;1-9-7-11(16)8-10(2)12(9)15-17-13(3,4)14(5,6)18-15;12-7-1-4-11(15-6-7)9-3-2-8(13)5-10(9)14;;;/h3-10H,1-2H3;7-8H,1-6H3;1-6H;1H4;;1H2/q;;;;+1;/p-1
InChIKeyNAWQKPMPPLCSFF-UHFFFAOYSA-M
MW906.42 g/mol
LogP10.47
Rot. Bonds4

About lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;hydroxide

lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;hydroxide (PubChem CID 159728092) has the molecular formula C45H45BBrCl2F4LiN2O3 and a molecular weight of 906.42 g/mol. Its IUPAC name is lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;hydroxide.

Molecular Properties

Compound Namelithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;hydroxide
PubChem CID159728092
Molecular FormulaC45H45BBrCl2F4LiN2O3
Molecular Weight906.42 g/mol
Exact Mass904.22
IUPAC Namelithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;hydroxide
SMILESC.Cc1cc(Cl)cc(C)c1-c1ccc(-c2ccc(F)cc2F)nc1.Cc1cc(Cl)cc(C)c1B1OC(C)(C)C(C)(C)O1.Fc1ccc(-c2ccc(Br)cn2)c(F)c1.[Li+].[OH-]
InChIInChI=1S/C19H14ClF2N.C14H20BClO2.C11H6BrF2N.CH4.Li.H2O/c1-11-7-14(20)8-12(2)19(11)13-3-6-18(23-10-13)16-5-4-15(21)9-17(16)22;1-9-7-11(16)8-10(2)12(9)15-17-13(3,4)14(5,6)18-15;12-7-1-4-11(15-6-7)9-3-2-8(13)5-10(9)14;;;/h3-10H,1-2H3;7-8H,1-6H3;1-6H;1H4;;1H2/q;;;;+1;/p-1
InChIKeyNAWQKPMPPLCSFF-UHFFFAOYSA-M
XLogP10.47
TPSA74.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.42
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;hydroxide with MolForge

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Related Compounds

2-Bromo-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;1-chloro-3-fluoro-5-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 157447750
1-Bromo-2,3-difluoro-5-methylbenzene;2-chloro-3-fluoro-1,4-dimethylbenzene;1,2-dichloro-4-methylbenzene;1,2-difluoro-3,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;2-(difluoromethyl)-3-fluoro-1,4-dimethylbenzene;bis(2,4-dimethylpyridine);tris(1-fluoro-2,4-dimethylbenzene);1-fluoro-4-methyl-2-(trifluoromethyl)benzene;2-fluoro-1,3,4-trimethylbenzene;bis(2-fluoro-1,3,5-trimethylbenzene);1,2,3-trifluoro-5-methylbenzene
CID 157673845
9-Bromo-10-(4-chlorophenyl)phenanthrene;2-[4-[10-(4-chlorophenyl)phenanthren-9-yl]phenyl]pyridine;methane;(4-pyridin-2-ylphenyl)boronic acid
CID 157235584
Lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydroxide
CID 157283607
N-[(1E)-2-[4-[4-chloro-6-(4-pyridin-3-ylphenyl)-2-pyridinyl]phenyl]buta-1,3-dienyl]methanimine;2,6-dibromo-4-chloropyridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
CID 157300253
Potassium;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(2,4-difluorophenyl)-5-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate
CID 157356095
2-Bromopyridine;2-(4-fluoro-3,5-dimethylphenyl)pyridine;2-(4-fluoro-3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 157356791
2-Bromo-3-chloropyridine;3-chloro-2-(4-fluoro-3-methylphenyl)pyridine;(4-fluoro-3-methylphenyl)boronic acid;methane;palladium;tetrakis(triphenylphosphane)
CID 157422828
1-Bromo-2-fluoro-4-methyl-5-propan-2-ylbenzene;2-bromo-1-fluoro-4-propan-2-ylbenzene;2-bromo-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;cumene;tris(1-fluoro-2-methyl-4-propan-2-ylbenzene);4-propan-2-ylpyridine
CID 157758607
5-Bromo-2-(2,6-difluorophenyl)pyridine;2-(2,6-difluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 158103794
3-[3-[3-Chloro-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;1,3-dibromo-5-chlorobenzene;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
CID 158444895
1-Benzyl-4-chloro-2-methylbenzene;2-(4-benzyl-3-methylphenyl)pyridine;2-(4-benzyl-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;tetrakis(carbon dioxide);2-(3-methylphenyl)pyridine
CID 158498338

Frequently Asked Questions

What is the IUPAC name of lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;hydroxide?
The IUPAC name of lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;hydroxide (CID 159728092) is lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;hydroxide.
What is the SMILES notation for lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;hydroxide?
The canonical SMILES for lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;hydroxide is C.Cc1cc(Cl)cc(C)c1-c1ccc(-c2ccc(F)cc2F)nc1.Cc1cc(Cl)cc(C)c1B1OC(C)(C)C(C)(C)O1.Fc1ccc(-c2ccc(Br)cn2)c(F)c1.[Li+].[OH-].
What is the InChIKey of lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;hydroxide?
The InChIKey is NAWQKPMPPLCSFF-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H14ClF2N.C14H20BClO2.C11H6BrF2N.CH4.Li.H2O/c1-11-7-14(20)8-12(2)19(11)13-3-6-18(23-10-13)16-5-4-15(21)9-17(16)22;1-9-7-11(16)8-10(2)12(9)15-17-13(3,4)14(5,6)18-15;12-7-1-4-11(15-6-7)9-3-2-8(13)5-10(9)14;;;/h3-10H,1-2H3;7-8H,1-6H3;1-6H;1H4;;1H2/q;;;;+1;/p-1.
What are the key properties of lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;hydroxide?
lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;hydroxide has a molecular weight of 906.42 g/mol, XLogP of 10.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;5-bromo-2-(2,4-difluorophenyl)pyridine;5-(4-chloro-2,6-dimethylphenyl)-2-(2,4-difluorophenyl)pyridine;2-(4-chloro-2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;hydroxide is sourced from PubChem (CID 159728092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).