5-bromo-2-chloropyridin-3-amine;5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloropyridin-3-amine;N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]methanesulfonamide;tert-butyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate;tert-butyl N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]carbamate;tert-butyl N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamate

C73H74BBr5Cl6N18O10S — CID 158964207

IUPAC5-bromo-2-chloropyridin-3-amine;5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloropyridin-3-amine;N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]methanesulfonamide;tert-butyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate;tert-butyl N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]carbamate;tert-butyl N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(-c2cnc3cc(Br)ccn23)cnc1Cl.CC(C)(C)OC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)cnc1Cl.CC(C)(C)OC(=O)Nc1cc(Br)cnc1Cl.CS(=O)(=O)Nc1cc(-c2cnc3cc(Br)ccn23)cnc1Cl.Nc1cc(-c2cnc3cc(Br)ccn23)cnc1Cl.Nc1cc(Br)cnc1Cl
InChIInChI=1S/C17H16BrClN4O2.C16H24BClN2O4.C13H10BrClN4O2S.C12H8BrClN4.C10H12BrClN2O2.C5H4BrClN2/c1-17(2,3)25-16(24)22-12-6-10(8-21-15(12)19)13-9-20-14-7-11(18)4-5-23(13)14;1-14(2,3)22-13(21)20-11-8-10(9-19-12(11)18)17-23-15(4,5)16(6,7)24-17;1-22(20,21)18-10-4-8(6-17-13(10)15)11-7-16-12-5-9(14)2-3-19(11)12;13-8-1-2-18-10(6-16-11(18)4-8)7-3-9(15)12(14)17-5-7;1-10(2,3)16-9(15)14-7-4-6(11)5-13-8(7)12;6-3-1-4(8)5(7)9-2-3/h4-9H,1-3H3,(H,22,24);8-9H,1-7H3,(H,20,21);2-7,18H,1H3;1-6H,15H2;4-5H,1-3H3,(H,14,15);1-2H,8H2
InChIKeyJMZKHYWYYCOKST-UHFFFAOYSA-N
MW2018.63 g/mol
LogP21.04
Rot. Bonds9

About 5-bromo-2-chloropyridin-3-amine;5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloropyridin-3-amine;N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]methanesulfonamide;tert-butyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate;tert-butyl N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]carbamate;tert-butyl N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamate

5-bromo-2-chloropyridin-3-amine;5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloropyridin-3-amine;N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]methanesulfonamide;tert-butyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate;tert-butyl N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]carbamate;tert-butyl N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamate (PubChem CID 158964207) has the molecular formula C73H74BBr5Cl6N18O10S and a molecular weight of 2018.63 g/mol. Its IUPAC name is 5-bromo-2-chloropyridin-3-amine;5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloropyridin-3-amine;N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]methanesulfonamide;tert-butyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate;tert-butyl N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]carbamate;tert-butyl N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Name5-bromo-2-chloropyridin-3-amine;5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloropyridin-3-amine;N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]methanesulfonamide;tert-butyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate;tert-butyl N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]carbamate;tert-butyl N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamate
PubChem CID158964207
Molecular FormulaC73H74BBr5Cl6N18O10S
Molecular Weight2018.63 g/mol
Exact Mass2009.97
IUPAC Name5-bromo-2-chloropyridin-3-amine;5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloropyridin-3-amine;N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]methanesulfonamide;tert-butyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate;tert-butyl N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]carbamate;tert-butyl N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(-c2cnc3cc(Br)ccn23)cnc1Cl.CC(C)(C)OC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)cnc1Cl.CC(C)(C)OC(=O)Nc1cc(Br)cnc1Cl.CS(=O)(=O)Nc1cc(-c2cnc3cc(Br)ccn23)cnc1Cl.Nc1cc(-c2cnc3cc(Br)ccn23)cnc1Cl.Nc1cc(Br)cnc1Cl
InChIInChI=1S/C17H16BrClN4O2.C16H24BClN2O4.C13H10BrClN4O2S.C12H8BrClN4.C10H12BrClN2O2.C5H4BrClN2/c1-17(2,3)25-16(24)22-12-6-10(8-21-15(12)19)13-9-20-14-7-11(18)4-5-23(13)14;1-14(2,3)22-13(21)20-11-8-10(9-19-12(11)18)17-23-15(4,5)16(6,7)24-17;1-22(20,21)18-10-4-8(6-17-13(10)15)11-7-16-12-5-9(14)2-3-19(11)12;13-8-1-2-18-10(6-16-11(18)4-8)7-3-9(15)12(14)17-5-7;1-10(2,3)16-9(15)14-7-4-6(11)5-13-8(7)12;6-3-1-4(8)5(7)9-2-3/h4-9H,1-3H3,(H,22,24);8-9H,1-7H3,(H,20,21);2-7,18H,1H3;1-6H,15H2;4-5H,1-3H3,(H,14,15);1-2H,8H2
InChIKeyJMZKHYWYYCOKST-UHFFFAOYSA-N
XLogP21.04
TPSA360.90 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds9
Heavy Atoms114
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002018.63
LogP ≤ 521.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-bromo-2-chloropyridin-3-amine;5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloropyridin-3-amine;N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]methanesulfonamide;tert-butyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate;tert-butyl N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]carbamate;tert-butyl N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloropyridin-3-amine;5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloropyridin-3-amine;N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]methanesulfonamide;tert-butyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate;tert-butyl N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]carbamate;tert-butyl N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamate?
The IUPAC name of 5-bromo-2-chloropyridin-3-amine;5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloropyridin-3-amine;N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]methanesulfonamide;tert-butyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate;tert-butyl N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]carbamate;tert-butyl N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamate (CID 158964207) is 5-bromo-2-chloropyridin-3-amine;5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloropyridin-3-amine;N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]methanesulfonamide;tert-butyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate;tert-butyl N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]carbamate;tert-butyl N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamate.
What is the SMILES notation for 5-bromo-2-chloropyridin-3-amine;5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloropyridin-3-amine;N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]methanesulfonamide;tert-butyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate;tert-butyl N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]carbamate;tert-butyl N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamate?
The canonical SMILES for 5-bromo-2-chloropyridin-3-amine;5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloropyridin-3-amine;N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]methanesulfonamide;tert-butyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate;tert-butyl N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]carbamate;tert-butyl N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cc(-c2cnc3cc(Br)ccn23)cnc1Cl.CC(C)(C)OC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)cnc1Cl.CC(C)(C)OC(=O)Nc1cc(Br)cnc1Cl.CS(=O)(=O)Nc1cc(-c2cnc3cc(Br)ccn23)cnc1Cl.Nc1cc(-c2cnc3cc(Br)ccn23)cnc1Cl.Nc1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloropyridin-3-amine;5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloropyridin-3-amine;N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]methanesulfonamide;tert-butyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate;tert-butyl N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]carbamate;tert-butyl N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamate?
The InChIKey is JMZKHYWYYCOKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN4O2.C16H24BClN2O4.C13H10BrClN4O2S.C12H8BrClN4.C10H12BrClN2O2.C5H4BrClN2/c1-17(2,3)25-16(24)22-12-6-10(8-21-15(12)19)13-9-20-14-7-11(18)4-5-23(13)14;1-14(2,3)22-13(21)20-11-8-10(9-19-12(11)18)17-23-15(4,5)16(6,7)24-17;1-22(20,21)18-10-4-8(6-17-13(10)15)11-7-16-12-5-9(14)2-3-19(11)12;13-8-1-2-18-10(6-16-11(18)4-8)7-3-9(15)12(14)17-5-7;1-10(2,3)16-9(15)14-7-4-6(11)5-13-8(7)12;6-3-1-4(8)5(7)9-2-3/h4-9H,1-3H3,(H,22,24);8-9H,1-7H3,(H,20,21);2-7,18H,1H3;1-6H,15H2;4-5H,1-3H3,(H,14,15);1-2H,8H2.
What are the key properties of 5-bromo-2-chloropyridin-3-amine;5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloropyridin-3-amine;N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]methanesulfonamide;tert-butyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate;tert-butyl N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]carbamate;tert-butyl N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamate?
5-bromo-2-chloropyridin-3-amine;5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloropyridin-3-amine;N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]methanesulfonamide;tert-butyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate;tert-butyl N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]carbamate;tert-butyl N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamate has a molecular weight of 2018.63 g/mol, XLogP of 21.04, 9 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloropyridin-3-amine;5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloropyridin-3-amine;N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]methanesulfonamide;tert-butyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate;tert-butyl N-[5-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]carbamate;tert-butyl N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamate is sourced from PubChem (CID 158964207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).