1-(bromomethyl)-3,5-dichlorobenzene;5-[(3,5-dichlorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-dichlorophenyl)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

C54H56BBrCl6N10O7 — CID 167545514

About 1-(bromomethyl)-3,5-dichlorobenzene;5-[(3,5-dichlorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-dichlorophenyl)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

1-(bromomethyl)-3,5-dichlorobenzene;5-[(3,5-dichlorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-dichlorophenyl)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 (PubChem CID 167545514) has the molecular formula C54H56BBrCl6N10O7 and a molecular weight of 1260.54 g/mol. Its IUPAC name is 1-(bromomethyl)-3,5-dichlorobenzene;5-[(3,5-dichlorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-dichlorophenyl)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.

Molecular Properties

• Compound Name: 1-(bromomethyl)-3,5-dichlorobenzene;5-[(3,5-dichlorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-dichlorophenyl)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
• PubChem CID: 167545514
• Molecular Formula: C54H56BBrCl6N10O7
• Molecular Weight: 1260.54 g/mol
• Exact Mass: 1256.17
• IUPAC Name: 1-(bromomethyl)-3,5-dichlorobenzene;5-[(3,5-dichlorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-dichlorophenyl)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
• SMILES: CC1(C)OB(c2ccc(N)nc2)OC1(C)C.CN1N=C(C(=O)Nc2ccc(Cc3cc(Cl)cc(Cl)c3)cn2)CCC1=O.CN1N=C(C(=O)O)CCC1=O.Clc1cc(Cl)cc(CBr)c1.Nc1ccc(Cc2cc(Cl)cc(Cl)c2)cn1
• InChI: InChI=1S/C18H16Cl2N4O2.C12H10Cl2N2.C11H17BN2O2.C7H5BrCl2.C6H8N2O3/c1-24-17(25)5-3-15(23-24)18(26)22-16-4-2-11(10-21-16)6-12-7-13(19)9-14(20)8-12;13-10-4-9(5-11(14)6-10)3-8-1-2-12(15)16-7-8;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;8-4-5-1-6(9)3-7(10)2-5;1-8-5(9)3-2-4(7-8)6(10)11/h2,4,7-10H,3,5-6H2,1H3,(H,21,22,26);1-2,4-7H,3H2,(H2,15,16);5-7H,1-4H3,(H2,13,14);1-3H,4H2;2-3H2,1H3,(H,10,11)
• InChIKey: BSWIHJUZRUUFPB-UHFFFAOYSA-N
• XLogP: 11.62
• TPSA: 240.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1260.54
LogP ≤ 5	11.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3,5-dichlorobenzene;5-[(3,5-dichlorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-dichlorophenyl)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?

The IUPAC name of 1-(bromomethyl)-3,5-dichlorobenzene;5-[(3,5-dichlorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-dichlorophenyl)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 167545514) is 1-(bromomethyl)-3,5-dichlorobenzene;5-[(3,5-dichlorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-dichlorophenyl)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.

What is the SMILES notation for 1-(bromomethyl)-3,5-dichlorobenzene;5-[(3,5-dichlorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-dichlorophenyl)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?

The canonical SMILES for 1-(bromomethyl)-3,5-dichlorobenzene;5-[(3,5-dichlorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-dichlorophenyl)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 is CC1(C)OB(c2ccc(N)nc2)OC1(C)C.CN1N=C(C(=O)Nc2ccc(Cc3cc(Cl)cc(Cl)c3)cn2)CCC1=O.CN1N=C(C(=O)O)CCC1=O.Clc1cc(Cl)cc(CBr)c1.Nc1ccc(Cc2cc(Cl)cc(Cl)c2)cn1.

What is the InChIKey of 1-(bromomethyl)-3,5-dichlorobenzene;5-[(3,5-dichlorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-dichlorophenyl)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?

The InChIKey is BSWIHJUZRUUFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O2.C12H10Cl2N2.C11H17BN2O2.C7H5BrCl2.C6H8N2O3/c1-24-17(25)5-3-15(23-24)18(26)22-16-4-2-11(10-21-16)6-12-7-13(19)9-14(20)8-12;13-10-4-9(5-11(14)6-10)3-8-1-2-12(15)16-7-8;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;8-4-5-1-6(9)3-7(10)2-5;1-8-5(9)3-2-4(7-8)6(10)11/h2,4,7-10H,3,5-6H2,1H3,(H,21,22,26);1-2,4-7H,3H2,(H2,15,16);5-7H,1-4H3,(H2,13,14);1-3H,4H2;2-3H2,1H3,(H,10,11).

What are the key properties of 1-(bromomethyl)-3,5-dichlorobenzene;5-[(3,5-dichlorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-dichlorophenyl)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?

1-(bromomethyl)-3,5-dichlorobenzene;5-[(3,5-dichlorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-dichlorophenyl)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 has a molecular weight of 1260.54 g/mol, XLogP of 11.62, 9 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(bromomethyl)-3,5-dichlorobenzene;5-[(3,5-dichlorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-dichlorophenyl)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 is sourced from PubChem (CID 167545514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).