(5-bromo-2-pyridinyl)methanol;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-[6-(hydroxymethyl)-3-pyridinyl]-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)

C144H135B3BrClF3N9O11P4Pd — CID 159197595

IUPAC(5-bromo-2-pyridinyl)methanol;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-[6-(hydroxymethyl)-3-pyridinyl]-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(CO)nc2)OC1(C)C.Cc1cccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(CO)nc5)nc4c32)c1.O=c1ccc2cnc3ccc(Cl)nc3c2n1-c1cccc(C(F)(F)F)c1.OCc1ccc(Br)cn1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H18N4O2.C18H9ClF3N3O.4C18H15P.C12H24B2O4.C12H18BNO3.C6H6BrNO.Pd/c1-15-3-2-4-19(11-15)28-22(30)10-6-17-13-26-21-9-8-20(27-23(21)24(17)28)16-5-7-18(14-29)25-12-16;19-14-6-5-13-16(24-14)17-10(9-23-13)4-7-15(26)25(17)12-3-1-2-11(8-12)18(20,21)22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2)12(3,4)17-13(16-11)9-5-6-10(8-15)14-7-9;7-5-1-2-6(4-9)8-3-5;/h2-13,29H,14H2,1H3;1-9H;4*1-15H;1-8H3;5-7,15H,8H2,1-4H3;1-3,9H,4H2;
InChIKeyKOWCWDFWTHRJPU-UHFFFAOYSA-N
MW2602.82 g/mol
LogP26.64
Rot. Bonds20

About (5-bromo-2-pyridinyl)methanol;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-[6-(hydroxymethyl)-3-pyridinyl]-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)

(5-bromo-2-pyridinyl)methanol;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-[6-(hydroxymethyl)-3-pyridinyl]-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) (PubChem CID 159197595) has the molecular formula C144H135B3BrClF3N9O11P4Pd and a molecular weight of 2602.82 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)methanol;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-[6-(hydroxymethyl)-3-pyridinyl]-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)methanol;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-[6-(hydroxymethyl)-3-pyridinyl]-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
PubChem CID159197595
Molecular FormulaC144H135B3BrClF3N9O11P4Pd
Molecular Weight2602.82 g/mol
Exact Mass2599.74
IUPAC Name(5-bromo-2-pyridinyl)methanol;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-[6-(hydroxymethyl)-3-pyridinyl]-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(CO)nc2)OC1(C)C.Cc1cccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(CO)nc5)nc4c32)c1.O=c1ccc2cnc3ccc(Cl)nc3c2n1-c1cccc(C(F)(F)F)c1.OCc1ccc(Br)cn1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H18N4O2.C18H9ClF3N3O.4C18H15P.C12H24B2O4.C12H18BNO3.C6H6BrNO.Pd/c1-15-3-2-4-19(11-15)28-22(30)10-6-17-13-26-21-9-8-20(27-23(21)24(17)28)16-5-7-18(14-29)25-12-16;19-14-6-5-13-16(24-14)17-10(9-23-13)4-7-15(26)25(17)12-3-1-2-11(8-12)18(20,21)22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2)12(3,4)17-13(16-11)9-5-6-10(8-15)14-7-9;7-5-1-2-6(4-9)8-3-5;/h2-13,29H,14H2,1H3;1-9H;4*1-15H;1-8H3;5-7,15H,8H2,1-4H3;1-3,9H,4H2;
InChIKeyKOWCWDFWTHRJPU-UHFFFAOYSA-N
XLogP26.64
TPSA250.30 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002602.82
LogP ≤ 526.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (5-bromo-2-pyridinyl)methanol;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-[6-(hydroxymethyl)-3-pyridinyl]-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

5-Bromo-2-methylsulfanylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;10-(3-methylphenyl)-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
CID 158055361
3-Bromo-5-methylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-(5-methyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
CID 161292926

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)methanol;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-[6-(hydroxymethyl)-3-pyridinyl]-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
The IUPAC name of (5-bromo-2-pyridinyl)methanol;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-[6-(hydroxymethyl)-3-pyridinyl]-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) (CID 159197595) is (5-bromo-2-pyridinyl)methanol;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-[6-(hydroxymethyl)-3-pyridinyl]-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane).
What is the SMILES notation for (5-bromo-2-pyridinyl)methanol;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-[6-(hydroxymethyl)-3-pyridinyl]-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
The canonical SMILES for (5-bromo-2-pyridinyl)methanol;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-[6-(hydroxymethyl)-3-pyridinyl]-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(CO)nc2)OC1(C)C.Cc1cccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(CO)nc5)nc4c32)c1.O=c1ccc2cnc3ccc(Cl)nc3c2n1-c1cccc(C(F)(F)F)c1.OCc1ccc(Br)cn1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (5-bromo-2-pyridinyl)methanol;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-[6-(hydroxymethyl)-3-pyridinyl]-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
The InChIKey is KOWCWDFWTHRJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2.C18H9ClF3N3O.4C18H15P.C12H24B2O4.C12H18BNO3.C6H6BrNO.Pd/c1-15-3-2-4-19(11-15)28-22(30)10-6-17-13-26-21-9-8-20(27-23(21)24(17)28)16-5-7-18(14-29)25-12-16;19-14-6-5-13-16(24-14)17-10(9-23-13)4-7-15(26)25(17)12-3-1-2-11(8-12)18(20,21)22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2)12(3,4)17-13(16-11)9-5-6-10(8-15)14-7-9;7-5-1-2-6(4-9)8-3-5;/h2-13,29H,14H2,1H3;1-9H;4*1-15H;1-8H3;5-7,15H,8H2,1-4H3;1-3,9H,4H2;.
What are the key properties of (5-bromo-2-pyridinyl)methanol;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-[6-(hydroxymethyl)-3-pyridinyl]-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
(5-bromo-2-pyridinyl)methanol;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-[6-(hydroxymethyl)-3-pyridinyl]-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) has a molecular weight of 2602.82 g/mol, XLogP of 26.64, 20 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)methanol;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;2-[6-(hydroxymethyl)-3-pyridinyl]-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159197595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).