1-(bromomethyl)-3,5-difluorobenzene;5-[(3,5-difluorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide;1-methyl-6-oxopyridine-3-carbonyl chloride;1-methyl-6-oxopyridine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;thionyl dichloride

C63H60BBrCl3F6N9O10S — CID 167533627

About 1-(bromomethyl)-3,5-difluorobenzene;5-[(3,5-difluorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide;1-methyl-6-oxopyridine-3-carbonyl chloride;1-methyl-6-oxopyridine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;thionyl dichloride

1-(bromomethyl)-3,5-difluorobenzene;5-[(3,5-difluorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide;1-methyl-6-oxopyridine-3-carbonyl chloride;1-methyl-6-oxopyridine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;thionyl dichloride (PubChem CID 167533627) has the molecular formula C63H60BBrCl3F6N9O10S and a molecular weight of 1446.36 g/mol. Its IUPAC name is 1-(bromomethyl)-3,5-difluorobenzene;5-[(3,5-difluorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide;1-methyl-6-oxopyridine-3-carbonyl chloride;1-methyl-6-oxopyridine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;thionyl dichloride.

Molecular Properties

• Compound Name: 1-(bromomethyl)-3,5-difluorobenzene;5-[(3,5-difluorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide;1-methyl-6-oxopyridine-3-carbonyl chloride;1-methyl-6-oxopyridine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;thionyl dichloride
• PubChem CID: 167533627
• Molecular Formula: C63H60BBrCl3F6N9O10S
• Molecular Weight: 1446.36 g/mol
• Exact Mass: 1443.24
• IUPAC Name: 1-(bromomethyl)-3,5-difluorobenzene;5-[(3,5-difluorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide;1-methyl-6-oxopyridine-3-carbonyl chloride;1-methyl-6-oxopyridine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;thionyl dichloride
• SMILES: CC1(C)OB(c2ccc(N)nc2)OC1(C)C.Cn1cc(C(=O)Cl)ccc1=O.Cn1cc(C(=O)Nc2ccc(Cc3cc(F)cc(F)c3)cn2)ccc1=O.Cn1cc(C(=O)O)ccc1=O.Fc1cc(F)cc(CBr)c1.Nc1ccc(Cc2cc(F)cc(F)c2)cn1.O=S(Cl)Cl
• InChI: InChI=1S/C19H15F2N3O2.C12H10F2N2.C11H17BN2O2.C7H5BrF2.C7H6ClNO2.C7H7NO3.Cl2OS/c1-24-11-14(3-5-18(24)25)19(26)23-17-4-2-12(10-22-17)6-13-7-15(20)9-16(21)8-13;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;1-9-4-5(7(8)11)2-3-6(9)10;1-8-4-5(7(10)11)2-3-6(8)9;1-4(2)3/h2-5,7-11H,6H2,1H3,(H,22,23,26);1-2,4-7H,3H2,(H2,15,16);5-7H,1-4H3,(H2,13,14);1-3H,4H2;2-4H,1H3;2-4H,1H3,(H,10,11)
• InChIKey: AHIPTNACCFZNSS-UHFFFAOYSA-N
• XLogP: 11.15
• TPSA: 275.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1446.36
LogP ≤ 5	11.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', '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 1-(bromomethyl)-3,5-difluorobenzene;5-[(3,5-difluorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide;1-methyl-6-oxopyridine-3-carbonyl chloride;1-methyl-6-oxopyridine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;thionyl dichloride?

The IUPAC name of 1-(bromomethyl)-3,5-difluorobenzene;5-[(3,5-difluorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide;1-methyl-6-oxopyridine-3-carbonyl chloride;1-methyl-6-oxopyridine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;thionyl dichloride (CID 167533627) is 1-(bromomethyl)-3,5-difluorobenzene;5-[(3,5-difluorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide;1-methyl-6-oxopyridine-3-carbonyl chloride;1-methyl-6-oxopyridine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;thionyl dichloride.

What is the SMILES notation for 1-(bromomethyl)-3,5-difluorobenzene;5-[(3,5-difluorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide;1-methyl-6-oxopyridine-3-carbonyl chloride;1-methyl-6-oxopyridine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;thionyl dichloride?

The canonical SMILES for 1-(bromomethyl)-3,5-difluorobenzene;5-[(3,5-difluorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide;1-methyl-6-oxopyridine-3-carbonyl chloride;1-methyl-6-oxopyridine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;thionyl dichloride is CC1(C)OB(c2ccc(N)nc2)OC1(C)C.Cn1cc(C(=O)Cl)ccc1=O.Cn1cc(C(=O)Nc2ccc(Cc3cc(F)cc(F)c3)cn2)ccc1=O.Cn1cc(C(=O)O)ccc1=O.Fc1cc(F)cc(CBr)c1.Nc1ccc(Cc2cc(F)cc(F)c2)cn1.O=S(Cl)Cl.

What is the InChIKey of 1-(bromomethyl)-3,5-difluorobenzene;5-[(3,5-difluorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide;1-methyl-6-oxopyridine-3-carbonyl chloride;1-methyl-6-oxopyridine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;thionyl dichloride?

The InChIKey is AHIPTNACCFZNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2.C12H10F2N2.C11H17BN2O2.C7H5BrF2.C7H6ClNO2.C7H7NO3.Cl2OS/c1-24-11-14(3-5-18(24)25)19(26)23-17-4-2-12(10-22-17)6-13-7-15(20)9-16(21)8-13;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;1-9-4-5(7(8)11)2-3-6(9)10;1-8-4-5(7(10)11)2-3-6(8)9;1-4(2)3/h2-5,7-11H,6H2,1H3,(H,22,23,26);1-2,4-7H,3H2,(H2,15,16);5-7H,1-4H3,(H2,13,14);1-3H,4H2;2-4H,1H3;2-4H,1H3,(H,10,11);.

What are the key properties of 1-(bromomethyl)-3,5-difluorobenzene;5-[(3,5-difluorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide;1-methyl-6-oxopyridine-3-carbonyl chloride;1-methyl-6-oxopyridine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;thionyl dichloride?

1-(bromomethyl)-3,5-difluorobenzene;5-[(3,5-difluorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide;1-methyl-6-oxopyridine-3-carbonyl chloride;1-methyl-6-oxopyridine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;thionyl dichloride has a molecular weight of 1446.36 g/mol, XLogP of 11.15, 10 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(bromomethyl)-3,5-difluorobenzene;5-[(3,5-difluorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide;1-methyl-6-oxopyridine-3-carbonyl chloride;1-methyl-6-oxopyridine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;thionyl dichloride is sourced from PubChem (CID 167533627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).