N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-methoxy-3-pyridinyl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride

C65H49BBrCl4F6N9O14 — CID 159107028

About N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-methoxy-3-pyridinyl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride

N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-methoxy-3-pyridinyl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride (PubChem CID 159107028) has the molecular formula C65H49BBrCl4F6N9O14 and a molecular weight of 1526.67 g/mol. Its IUPAC name is N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-methoxy-3-pyridinyl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride.

Molecular Properties

• Compound Name: N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-methoxy-3-pyridinyl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride
• PubChem CID: 159107028
• Molecular Formula: C65H49BBrCl4F6N9O14
• Molecular Weight: 1526.67 g/mol
• Exact Mass: 1523.13
• IUPAC Name: N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-methoxy-3-pyridinyl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride
• SMILES: COc1ccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2Cl)cn1.COc1ccc(B(O)O)cn1.Cl.O=C(Nc1ccc(Cl)c(-c2ccc(=O)[nH]c2)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.O=C(Nc1ccc(Cl)c(Br)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1
• InChI: InChI=1S/C22H16ClF2N3O4.C21H14ClF2N3O4.C16H10BrClF2N2O3.C6H8BNO3.ClH/c1-30-18-7-2-12(11-26-18)19-14(23)4-6-17(27-19)28-20(29)21(8-9-21)13-3-5-15-16(10-13)32-22(24,25)31-15;22-13-3-5-16(26-18(13)11-1-6-17(28)25-10-11)27-19(29)20(7-8-20)12-2-4-14-15(9-12)31-21(23,24)30-14;17-13-9(18)2-4-12(21-13)22-14(23)15(5-6-15)8-1-3-10-11(7-8)25-16(19,20)24-10;1-11-6-3-2-5(4-8-6)7(9)10;/h2-7,10-11H,8-9H2,1H3,(H,27,28,29);1-6,9-10H,7-8H2,(H,25,28)(H,26,27,29);1-4,7H,5-6H2,(H,21,22,23);2-4,9-10H,1H3;1H
• InChIKey: WVHALKQMWGFAIZ-UHFFFAOYSA-N
• XLogP: 12.56
• TPSA: 298.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1526.67
LogP ≤ 5	12.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-methoxy-3-pyridinyl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride?

The IUPAC name of N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-methoxy-3-pyridinyl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride (CID 159107028) is N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-methoxy-3-pyridinyl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride.

What is the SMILES notation for N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-methoxy-3-pyridinyl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride?

The canonical SMILES for N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-methoxy-3-pyridinyl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride is COc1ccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2Cl)cn1.COc1ccc(B(O)O)cn1.Cl.O=C(Nc1ccc(Cl)c(-c2ccc(=O)[nH]c2)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.O=C(Nc1ccc(Cl)c(Br)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.

What is the InChIKey of N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-methoxy-3-pyridinyl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride?

The InChIKey is WVHALKQMWGFAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF2N3O4.C21H14ClF2N3O4.C16H10BrClF2N2O3.C6H8BNO3.ClH/c1-30-18-7-2-12(11-26-18)19-14(23)4-6-17(27-19)28-20(29)21(8-9-21)13-3-5-15-16(10-13)32-22(24,25)31-15;22-13-3-5-16(26-18(13)11-1-6-17(28)25-10-11)27-19(29)20(7-8-20)12-2-4-14-15(9-12)31-21(23,24)30-14;17-13-9(18)2-4-12(21-13)22-14(23)15(5-6-15)8-1-3-10-11(7-8)25-16(19,20)24-10;1-11-6-3-2-5(4-8-6)7(9)10;/h2-7,10-11H,8-9H2,1H3,(H,27,28,29);1-6,9-10H,7-8H2,(H,25,28)(H,26,27,29);1-4,7H,5-6H2,(H,21,22,23);2-4,9-10H,1H3;1H.

What are the key properties of N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-methoxy-3-pyridinyl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride?

N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-methoxy-3-pyridinyl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride has a molecular weight of 1526.67 g/mol, XLogP of 12.56, 14 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-bromo-5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-methoxy-3-pyridinyl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[5-chloro-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride is sourced from PubChem (CID 159107028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).