1-(bromomethyl)-3-chlorobenzene;5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid;palladium;5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)

C127H124BrCl3N10O5P4Pd — CID 167610347

IUPAC1-(bromomethyl)-3-chlorobenzene;5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid;palladium;5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)
SMILESC.C.CC1(C)OC(c2ccc(N)nc2)OC1(C)C.Clc1cccc(CBr)c1.Cn1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)n1.Cn1ccc(C(=O)O)n1.Nc1ccc(Cc2cccc(Cl)c2)cn1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C17H15ClN4O.C12H11ClN2.C12H18N2O2.C7H6BrCl.C5H6N2O2.2CH4.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-22-8-7-15(21-22)17(23)20-16-6-5-13(11-19-16)9-12-3-2-4-14(18)10-12;13-11-3-1-2-9(7-11)6-10-4-5-12(14)15-8-10;1-11(2)12(3,4)16-10(15-11)8-5-6-9(13)14-7-8;8-5-6-2-1-3-7(9)4-6;1-7-3-2-4(6-7)5(8)9;;;/h4*1-15H;2-8,10-11H,9H2,1H3,(H,19,20,23);1-5,7-8H,6H2,(H2,14,15);5-7,10H,1-4H3,(H2,13,14);1-4H,5H2;2-3H,1H3,(H,8,9);2*1H4;
InChIKeyKYMPFELJNUTOLA-UHFFFAOYSA-N
MW2287.03 g/mol
LogP26.89
Rot. Bonds21

About 1-(bromomethyl)-3-chlorobenzene;5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid;palladium;5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)

1-(bromomethyl)-3-chlorobenzene;5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid;palladium;5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane) (PubChem CID 167610347) has the molecular formula C127H124BrCl3N10O5P4Pd and a molecular weight of 2287.03 g/mol. Its IUPAC name is 1-(bromomethyl)-3-chlorobenzene;5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid;palladium;5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name1-(bromomethyl)-3-chlorobenzene;5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid;palladium;5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)
PubChem CID167610347
Molecular FormulaC127H124BrCl3N10O5P4Pd
Molecular Weight2287.03 g/mol
Exact Mass2282.60
IUPAC Name1-(bromomethyl)-3-chlorobenzene;5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid;palladium;5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)
SMILESC.C.CC1(C)OC(c2ccc(N)nc2)OC1(C)C.Clc1cccc(CBr)c1.Cn1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)n1.Cn1ccc(C(=O)O)n1.Nc1ccc(Cc2cccc(Cl)c2)cn1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C17H15ClN4O.C12H11ClN2.C12H18N2O2.C7H6BrCl.C5H6N2O2.2CH4.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-22-8-7-15(21-22)17(23)20-16-6-5-13(11-19-16)9-12-3-2-4-14(18)10-12;13-11-3-1-2-9(7-11)6-10-4-5-12(14)15-8-10;1-11(2)12(3,4)16-10(15-11)8-5-6-9(13)14-7-8;8-5-6-2-1-3-7(9)4-6;1-7-3-2-4(6-7)5(8)9;;;/h4*1-15H;2-8,10-11H,9H2,1H3,(H,19,20,23);1-5,7-8H,6H2,(H2,14,15);5-7,10H,1-4H3,(H2,13,14);1-4H,5H2;2-3H,1H3,(H,8,9);2*1H4;
InChIKeyKYMPFELJNUTOLA-UHFFFAOYSA-N
XLogP26.89
TPSA211.21 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002287.03
LogP ≤ 526.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1-(bromomethyl)-3-chlorobenzene;5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid;palladium;5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

5-[(3,5-difluorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-1-ethylpyrazole-3-carboxamide;1-ethylpyrazole-3-carboxylic acid;methane
CID 167541868
N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide
CID 167579005
1-(bromomethyl)-3-methoxybenzene;5-[(3-methoxyphenyl)methyl]pyridin-2-amine;N-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 167676508
4-(bromomethyl)-1-chloro-2-fluorobenzene;5-[(4-chloro-3-fluorophenyl)methyl]pyridin-2-amine;N-[5-[(4-chloro-3-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 167661078
N-[(6-amino-3-pyridinyl)methyl]-3-[(3-chlorophenyl)methyl]-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxamide
CID 90852752
N-[5-[(3,4-dichlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide
CID 139521601
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 172933805
N-[5-[(3-chlorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 155153066
N-[(3-aminophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 103116186
N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 40560911
N-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139522097
N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-2-oxo-2-[2-(2,2,2-trifluoroacetyl)hydrazinyl]acetamide
CID 139521647

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-chlorobenzene;5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid;palladium;5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)?
The IUPAC name of 1-(bromomethyl)-3-chlorobenzene;5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid;palladium;5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane) (CID 167610347) is 1-(bromomethyl)-3-chlorobenzene;5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid;palladium;5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane).
What is the SMILES notation for 1-(bromomethyl)-3-chlorobenzene;5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid;palladium;5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)?
The canonical SMILES for 1-(bromomethyl)-3-chlorobenzene;5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid;palladium;5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane) is C.C.CC1(C)OC(c2ccc(N)nc2)OC1(C)C.Clc1cccc(CBr)c1.Cn1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)n1.Cn1ccc(C(=O)O)n1.Nc1ccc(Cc2cccc(Cl)c2)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 1-(bromomethyl)-3-chlorobenzene;5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid;palladium;5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)?
The InChIKey is KYMPFELJNUTOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H15P.C17H15ClN4O.C12H11ClN2.C12H18N2O2.C7H6BrCl.C5H6N2O2.2CH4.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-22-8-7-15(21-22)17(23)20-16-6-5-13(11-19-16)9-12-3-2-4-14(18)10-12;13-11-3-1-2-9(7-11)6-10-4-5-12(14)15-8-10;1-11(2)12(3,4)16-10(15-11)8-5-6-9(13)14-7-8;8-5-6-2-1-3-7(9)4-6;1-7-3-2-4(6-7)5(8)9;;;/h4*1-15H;2-8,10-11H,9H2,1H3,(H,19,20,23);1-5,7-8H,6H2,(H2,14,15);5-7,10H,1-4H3,(H2,13,14);1-4H,5H2;2-3H,1H3,(H,8,9);2*1H4;.
What are the key properties of 1-(bromomethyl)-3-chlorobenzene;5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid;palladium;5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)?
1-(bromomethyl)-3-chlorobenzene;5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid;palladium;5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane) has a molecular weight of 2287.03 g/mol, XLogP of 26.89, 21 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-chlorobenzene;5-[(3-chlorophenyl)methyl]pyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid;palladium;5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane) is sourced from PubChem (CID 167610347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).