2-chloro-5-(chloromethyl)pyridine;2-chloro-5-[[3-(difluoromethyl)phenyl]methyl]pyridine;[3-(difluoromethyl)phenyl]boronic acid;5-[[3-(difluoromethyl)phenyl]methyl]pyridin-2-amine;N-[5-[[3-(difluoromethyl)phenyl]methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

C64H60BCl3F8N10O7 — CID 167551446

About 2-chloro-5-(chloromethyl)pyridine;2-chloro-5-[[3-(difluoromethyl)phenyl]methyl]pyridine;[3-(difluoromethyl)phenyl]boronic acid;5-[[3-(difluoromethyl)phenyl]methyl]pyridin-2-amine;N-[5-[[3-(difluoromethyl)phenyl]methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

2-chloro-5-(chloromethyl)pyridine;2-chloro-5-[[3-(difluoromethyl)phenyl]methyl]pyridine;[3-(difluoromethyl)phenyl]boronic acid;5-[[3-(difluoromethyl)phenyl]methyl]pyridin-2-amine;N-[5-[[3-(difluoromethyl)phenyl]methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 167551446) has the molecular formula C64H60BCl3F8N10O7 and a molecular weight of 1350.40 g/mol. Its IUPAC name is 2-chloro-5-(chloromethyl)pyridine;2-chloro-5-[[3-(difluoromethyl)phenyl]methyl]pyridine;[3-(difluoromethyl)phenyl]boronic acid;5-[[3-(difluoromethyl)phenyl]methyl]pyridin-2-amine;N-[5-[[3-(difluoromethyl)phenyl]methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-chloro-5-(chloromethyl)pyridine;2-chloro-5-[[3-(difluoromethyl)phenyl]methyl]pyridine;[3-(difluoromethyl)phenyl]boronic acid;5-[[3-(difluoromethyl)phenyl]methyl]pyridin-2-amine;N-[5-[[3-(difluoromethyl)phenyl]methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
• PubChem CID: 167551446
• Molecular Formula: C64H60BCl3F8N10O7
• Molecular Weight: 1350.40 g/mol
• Exact Mass: 1348.37
• IUPAC Name: 2-chloro-5-(chloromethyl)pyridine;2-chloro-5-[[3-(difluoromethyl)phenyl]methyl]pyridine;[3-(difluoromethyl)phenyl]boronic acid;5-[[3-(difluoromethyl)phenyl]methyl]pyridin-2-amine;N-[5-[[3-(difluoromethyl)phenyl]methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
• SMILES: CN1N=C(C(=O)Nc2ccc(Cc3cccc(C(F)F)c3)cn2)CCC1=O.CN1N=C(C(=O)O)CCC1=O.ClCc1ccc(Cl)nc1.FC(F)c1cccc(Cc2ccc(Cl)nc2)c1.Nc1ccc(Cc2cccc(C(F)F)c2)cn1.OB(O)c1cccc(C(F)F)c1
• InChI: InChI=1S/C19H18F2N4O2.C13H10ClF2N.C13H12F2N2.C7H7BF2O2.C6H5Cl2N.C6H8N2O3/c1-25-17(26)8-6-15(24-25)19(27)23-16-7-5-13(11-22-16)9-12-3-2-4-14(10-12)18(20)21;14-12-5-4-10(8-17-12)6-9-2-1-3-11(7-9)13(15)16;14-13(15)11-3-1-2-9(7-11)6-10-4-5-12(16)17-8-10;9-7(10)5-2-1-3-6(4-5)8(11)12;7-3-5-1-2-6(8)9-4-5;1-8-5(9)3-2-4(7-8)6(10)11/h2-5,7,10-11,18H,6,8-9H2,1H3,(H,22,23,27);1-5,7-8,13H,6H2;1-5,7-8,13H,6H2,(H2,16,17);1-4,7,11-12H;1-2,4H,3H2;2-3H2,1H3,(H,10,11)
• InChIKey: CLLJJRVIQHDCRI-UHFFFAOYSA-N
• XLogP: 13.07
• TPSA: 249.78 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1350.40
LogP ≤ 5	13.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(chloromethyl)pyridine;2-chloro-5-[[3-(difluoromethyl)phenyl]methyl]pyridine;[3-(difluoromethyl)phenyl]boronic acid;5-[[3-(difluoromethyl)phenyl]methyl]pyridin-2-amine;N-[5-[[3-(difluoromethyl)phenyl]methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?

The IUPAC name of 2-chloro-5-(chloromethyl)pyridine;2-chloro-5-[[3-(difluoromethyl)phenyl]methyl]pyridine;[3-(difluoromethyl)phenyl]boronic acid;5-[[3-(difluoromethyl)phenyl]methyl]pyridin-2-amine;N-[5-[[3-(difluoromethyl)phenyl]methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (CID 167551446) is 2-chloro-5-(chloromethyl)pyridine;2-chloro-5-[[3-(difluoromethyl)phenyl]methyl]pyridine;[3-(difluoromethyl)phenyl]boronic acid;5-[[3-(difluoromethyl)phenyl]methyl]pyridin-2-amine;N-[5-[[3-(difluoromethyl)phenyl]methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.

What is the SMILES notation for 2-chloro-5-(chloromethyl)pyridine;2-chloro-5-[[3-(difluoromethyl)phenyl]methyl]pyridine;[3-(difluoromethyl)phenyl]boronic acid;5-[[3-(difluoromethyl)phenyl]methyl]pyridin-2-amine;N-[5-[[3-(difluoromethyl)phenyl]methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?

The canonical SMILES for 2-chloro-5-(chloromethyl)pyridine;2-chloro-5-[[3-(difluoromethyl)phenyl]methyl]pyridine;[3-(difluoromethyl)phenyl]boronic acid;5-[[3-(difluoromethyl)phenyl]methyl]pyridin-2-amine;N-[5-[[3-(difluoromethyl)phenyl]methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is CN1N=C(C(=O)Nc2ccc(Cc3cccc(C(F)F)c3)cn2)CCC1=O.CN1N=C(C(=O)O)CCC1=O.ClCc1ccc(Cl)nc1.FC(F)c1cccc(Cc2ccc(Cl)nc2)c1.Nc1ccc(Cc2cccc(C(F)F)c2)cn1.OB(O)c1cccc(C(F)F)c1.

What is the InChIKey of 2-chloro-5-(chloromethyl)pyridine;2-chloro-5-[[3-(difluoromethyl)phenyl]methyl]pyridine;[3-(difluoromethyl)phenyl]boronic acid;5-[[3-(difluoromethyl)phenyl]methyl]pyridin-2-amine;N-[5-[[3-(difluoromethyl)phenyl]methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?

The InChIKey is CLLJJRVIQHDCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2.C13H10ClF2N.C13H12F2N2.C7H7BF2O2.C6H5Cl2N.C6H8N2O3/c1-25-17(26)8-6-15(24-25)19(27)23-16-7-5-13(11-22-16)9-12-3-2-4-14(10-12)18(20)21;14-12-5-4-10(8-17-12)6-9-2-1-3-11(7-9)13(15)16;14-13(15)11-3-1-2-9(7-11)6-10-4-5-12(16)17-8-10;9-7(10)5-2-1-3-6(4-5)8(11)12;7-3-5-1-2-6(8)9-4-5;1-8-5(9)3-2-4(7-8)6(10)11/h2-5,7,10-11,18H,6,8-9H2,1H3,(H,22,23,27);1-5,7-8,13H,6H2;1-5,7-8,13H,6H2,(H2,16,17);1-4,7,11-12H;1-2,4H,3H2;2-3H2,1H3,(H,10,11).

What are the key properties of 2-chloro-5-(chloromethyl)pyridine;2-chloro-5-[[3-(difluoromethyl)phenyl]methyl]pyridine;[3-(difluoromethyl)phenyl]boronic acid;5-[[3-(difluoromethyl)phenyl]methyl]pyridin-2-amine;N-[5-[[3-(difluoromethyl)phenyl]methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?

2-chloro-5-(chloromethyl)pyridine;2-chloro-5-[[3-(difluoromethyl)phenyl]methyl]pyridine;[3-(difluoromethyl)phenyl]boronic acid;5-[[3-(difluoromethyl)phenyl]methyl]pyridin-2-amine;N-[5-[[3-(difluoromethyl)phenyl]methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 1350.40 g/mol, XLogP of 13.07, 15 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-(chloromethyl)pyridine;2-chloro-5-[[3-(difluoromethyl)phenyl]methyl]pyridine;[3-(difluoromethyl)phenyl]boronic acid;5-[[3-(difluoromethyl)phenyl]methyl]pyridin-2-amine;N-[5-[[3-(difluoromethyl)phenyl]methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 167551446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).