4-chloro-3-iodopyridine;5-(4-chloro-3-pyridinyl)-1-methyl-3-[(E)-2-phenylethenyl]indazole;5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C68H58BCl3IN9O2 — CID 157400458

About 4-chloro-3-iodopyridine;5-(4-chloro-3-pyridinyl)-1-methyl-3-[(E)-2-phenylethenyl]indazole;5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

4-chloro-3-iodopyridine;5-(4-chloro-3-pyridinyl)-1-methyl-3-[(E)-2-phenylethenyl]indazole;5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 157400458) has the molecular formula C68H58BCl3IN9O2 and a molecular weight of 1277.35 g/mol. Its IUPAC name is 4-chloro-3-iodopyridine;5-(4-chloro-3-pyridinyl)-1-methyl-3-[(E)-2-phenylethenyl]indazole;5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

• Compound Name: 4-chloro-3-iodopyridine;5-(4-chloro-3-pyridinyl)-1-methyl-3-[(E)-2-phenylethenyl]indazole;5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• PubChem CID: 157400458
• Molecular Formula: C68H58BCl3IN9O2
• Molecular Weight: 1277.35 g/mol
• Exact Mass: 1275.29
• IUPAC Name: 4-chloro-3-iodopyridine;5-(4-chloro-3-pyridinyl)-1-methyl-3-[(E)-2-phenylethenyl]indazole;5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• SMILES: Clc1ccncc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Clc1ccncc1I.Cn1nc(/C=C/c2ccccc2)c2cc(-c3cnccc3Cl)ccc21.Cn1nc(/C=C/c2ccccc2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21
• InChI: InChI=1S/C22H25BN2O2.C21H16ClN3.C20H14ClN3.C5H3ClIN/c1-21(2)22(3,4)27-23(26-21)17-12-14-20-18(15-17)19(24-25(20)5)13-11-16-9-7-6-8-10-16;1-25-21-10-8-16(18-14-23-12-11-19(18)22)13-17(21)20(24-25)9-7-15-5-3-2-4-6-15;21-18-10-11-22-13-17(18)15-7-9-20-16(12-15)19(23-24-20)8-6-14-4-2-1-3-5-14;6-4-1-2-8-3-5(4)7/h6-15H,1-5H3;2-14H,1H3;1-13H,(H,23,24);1-3H/b13-11+;9-7+;8-6+
• InChIKey: BNCANGXQCPXWOD-GSAXSIJVSA-N
• XLogP: 17.29
• TPSA: 121.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1277.35
LogP ≤ 5	17.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-iodopyridine;5-(4-chloro-3-pyridinyl)-1-methyl-3-[(E)-2-phenylethenyl]indazole;5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The IUPAC name of 4-chloro-3-iodopyridine;5-(4-chloro-3-pyridinyl)-1-methyl-3-[(E)-2-phenylethenyl]indazole;5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 157400458) is 4-chloro-3-iodopyridine;5-(4-chloro-3-pyridinyl)-1-methyl-3-[(E)-2-phenylethenyl]indazole;5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

What is the SMILES notation for 4-chloro-3-iodopyridine;5-(4-chloro-3-pyridinyl)-1-methyl-3-[(E)-2-phenylethenyl]indazole;5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The canonical SMILES for 4-chloro-3-iodopyridine;5-(4-chloro-3-pyridinyl)-1-methyl-3-[(E)-2-phenylethenyl]indazole;5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is Clc1ccncc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Clc1ccncc1I.Cn1nc(/C=C/c2ccccc2)c2cc(-c3cnccc3Cl)ccc21.Cn1nc(/C=C/c2ccccc2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.

What is the InChIKey of 4-chloro-3-iodopyridine;5-(4-chloro-3-pyridinyl)-1-methyl-3-[(E)-2-phenylethenyl]indazole;5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The InChIKey is BNCANGXQCPXWOD-GSAXSIJVSA-N. The full InChI is InChI=1S/C22H25BN2O2.C21H16ClN3.C20H14ClN3.C5H3ClIN/c1-21(2)22(3,4)27-23(26-21)17-12-14-20-18(15-17)19(24-25(20)5)13-11-16-9-7-6-8-10-16;1-25-21-10-8-16(18-14-23-12-11-19(18)22)13-17(21)20(24-25)9-7-15-5-3-2-4-6-15;21-18-10-11-22-13-17(18)15-7-9-20-16(12-15)19(23-24-20)8-6-14-4-2-1-3-5-14;6-4-1-2-8-3-5(4)7/h6-15H,1-5H3;2-14H,1H3;1-13H,(H,23,24);1-3H/b13-11+;9-7+;8-6+;.

What are the key properties of 4-chloro-3-iodopyridine;5-(4-chloro-3-pyridinyl)-1-methyl-3-[(E)-2-phenylethenyl]indazole;5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

4-chloro-3-iodopyridine;5-(4-chloro-3-pyridinyl)-1-methyl-3-[(E)-2-phenylethenyl]indazole;5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 1277.35 g/mol, XLogP of 17.29, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-iodopyridine;5-(4-chloro-3-pyridinyl)-1-methyl-3-[(E)-2-phenylethenyl]indazole;5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 157400458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).