4-[4-(chloromethyl)phenyl]-1,3-thiazole;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C65H70B3Cl2N11O6S2 — CID 159695065

About 4-[4-(chloromethyl)phenyl]-1,3-thiazole;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

4-[4-(chloromethyl)phenyl]-1,3-thiazole;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159695065) has the molecular formula C65H70B3Cl2N11O6S2 and a molecular weight of 1268.82 g/mol. Its IUPAC name is 4-[4-(chloromethyl)phenyl]-1,3-thiazole;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4-[4-(chloromethyl)phenyl]-1,3-thiazole;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 159695065
• Molecular Formula: C65H70B3Cl2N11O6S2
• Molecular Weight: 1268.82 g/mol
• Exact Mass: 1267.46
• IUPAC Name: 4-[4-(chloromethyl)phenyl]-1,3-thiazole;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.ClCc1ccc(-c2cscn2)cc1.Cn1ccc2c(B3OC(C)(C)C(C)(C)O3)cc(C#N)nc21.Cn1ccc2c(Cc3ccc(-c4cscn4)cc3)cc(C#N)nc21.Cn1ccc2c(Cl)cc(C#N)nc21
• InChI: InChI=1S/C19H14N4S.C15H18BN3O2.C12H24B2O4.C10H8ClNS.C9H6ClN3/c1-23-7-6-17-15(9-16(10-20)22-19(17)23)8-13-2-4-14(5-3-13)18-11-24-12-21-18;1-14(2)15(3,4)21-16(20-14)12-8-10(9-17)18-13-11(12)6-7-19(13)5;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;11-5-8-1-3-9(4-2-8)10-6-13-7-12-10;1-13-3-2-7-8(10)4-6(5-11)12-9(7)13/h2-7,9,11-12H,8H2,1H3;6-8H,1-5H3;1-8H3;1-4,6-7H,5H2;2-4H,1H3
• InChIKey: MWXBZOOMUAVEBR-UHFFFAOYSA-N
• XLogP: 13.80
• TPSA: 205.99 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 7
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1268.82
LogP ≤ 5	13.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

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 4-[4-(chloromethyl)phenyl]-1,3-thiazole;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 4-[4-(chloromethyl)phenyl]-1,3-thiazole;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159695065) is 4-[4-(chloromethyl)phenyl]-1,3-thiazole;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 4-[4-(chloromethyl)phenyl]-1,3-thiazole;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 4-[4-(chloromethyl)phenyl]-1,3-thiazole;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.ClCc1ccc(-c2cscn2)cc1.Cn1ccc2c(B3OC(C)(C)C(C)(C)O3)cc(C#N)nc21.Cn1ccc2c(Cc3ccc(-c4cscn4)cc3)cc(C#N)nc21.Cn1ccc2c(Cl)cc(C#N)nc21.

What is the InChIKey of 4-[4-(chloromethyl)phenyl]-1,3-thiazole;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is MWXBZOOMUAVEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4S.C15H18BN3O2.C12H24B2O4.C10H8ClNS.C9H6ClN3/c1-23-7-6-17-15(9-16(10-20)22-19(17)23)8-13-2-4-14(5-3-13)18-11-24-12-21-18;1-14(2)15(3,4)21-16(20-14)12-8-10(9-17)18-13-11(12)6-7-19(13)5;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;11-5-8-1-3-9(4-2-8)10-6-13-7-12-10;1-13-3-2-7-8(10)4-6(5-11)12-9(7)13/h2-7,9,11-12H,8H2,1H3;6-8H,1-5H3;1-8H3;1-4,6-7H,5H2;2-4H,1H3.

What are the key properties of 4-[4-(chloromethyl)phenyl]-1,3-thiazole;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

4-[4-(chloromethyl)phenyl]-1,3-thiazole;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1268.82 g/mol, XLogP of 13.80, 7 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(chloromethyl)phenyl]-1,3-thiazole;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile;1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159695065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).