5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide;6-bromo-4-chloroquinoline;4-(6-bromoquinolin-4-yl)morpholine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine

C81H74BBr4Cl4F2N13O9S2 — CID 162111876

IUPAC5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide;6-bromo-4-chloroquinoline;4-(6-bromoquinolin-4-yl)morpholine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine
SMILESBrc1ccc2nccc(N3CCOCC3)c2c1.CC1(C)OB(c2ccc3nccc(N4CCOCC4)c3c2)OC1(C)C.Clc1ccnc2ccc(Br)cc12.Nc1cc(Br)cnc1Cl.O=S(=O)(Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl)c1ccc(F)cc1.O=S(=O)(Nc1cc(Br)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C24H20ClFN4O3S.C19H25BN2O3.C13H13BrN2O.C11H7BrClFN2O2S.C9H5BrClN.C5H4BrClN2/c25-24-22(29-34(31,32)19-4-2-18(26)3-5-19)14-17(15-28-24)16-1-6-21-20(13-16)23(7-8-27-21)30-9-11-33-12-10-30;1-18(2)19(3,4)25-20(24-18)14-5-6-16-15(13-14)17(7-8-21-16)22-9-11-23-12-10-22;14-10-1-2-12-11(9-10)13(3-4-15-12)16-5-7-17-8-6-16;12-7-5-10(11(13)15-6-7)16-19(17,18)9-3-1-8(14)2-4-9;10-6-1-2-9-7(5-6)8(11)3-4-12-9;6-3-1-4(8)5(7)9-2-3/h1-8,13-15,29H,9-12H2;5-8,13H,9-12H2,1-4H3;1-4,9H,5-8H2;1-6,16H;1-5H;1-2H,8H2
InChIKeyZGGJWXFVGCFNHI-UHFFFAOYSA-N
MW1947.93 g/mol
LogP19.10
Rot. Bonds11

About 5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide;6-bromo-4-chloroquinoline;4-(6-bromoquinolin-4-yl)morpholine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine

5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide;6-bromo-4-chloroquinoline;4-(6-bromoquinolin-4-yl)morpholine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine (PubChem CID 162111876) has the molecular formula C81H74BBr4Cl4F2N13O9S2 and a molecular weight of 1947.93 g/mol. Its IUPAC name is 5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide;6-bromo-4-chloroquinoline;4-(6-bromoquinolin-4-yl)morpholine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine.

Molecular Properties

Compound Name5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide;6-bromo-4-chloroquinoline;4-(6-bromoquinolin-4-yl)morpholine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine
PubChem CID162111876
Molecular FormulaC81H74BBr4Cl4F2N13O9S2
Molecular Weight1947.93 g/mol
Exact Mass1941.07
IUPAC Name5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide;6-bromo-4-chloroquinoline;4-(6-bromoquinolin-4-yl)morpholine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine
SMILESBrc1ccc2nccc(N3CCOCC3)c2c1.CC1(C)OB(c2ccc3nccc(N4CCOCC4)c3c2)OC1(C)C.Clc1ccnc2ccc(Br)cc12.Nc1cc(Br)cnc1Cl.O=S(=O)(Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl)c1ccc(F)cc1.O=S(=O)(Nc1cc(Br)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C24H20ClFN4O3S.C19H25BN2O3.C13H13BrN2O.C11H7BrClFN2O2S.C9H5BrClN.C5H4BrClN2/c25-24-22(29-34(31,32)19-4-2-18(26)3-5-19)14-17(15-28-24)16-1-6-21-20(13-16)23(7-8-27-21)30-9-11-33-12-10-30;1-18(2)19(3,4)25-20(24-18)14-5-6-16-15(13-14)17(7-8-21-16)22-9-11-23-12-10-22;14-10-1-2-12-11(9-10)13(3-4-15-12)16-5-7-17-8-6-16;12-7-5-10(11(13)15-6-7)16-19(17,18)9-3-1-8(14)2-4-9;10-6-1-2-9-7(5-6)8(11)3-4-12-9;6-3-1-4(8)5(7)9-2-3/h1-8,13-15,29H,9-12H2;5-8,13H,9-12H2,1-4H3;1-4,9H,5-8H2;1-6,16H;1-5H;1-2H,8H2
InChIKeyZGGJWXFVGCFNHI-UHFFFAOYSA-N
XLogP19.10
TPSA264.46 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001947.93
LogP ≤ 519.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide;6-bromo-4-chloroquinoline;4-(6-bromoquinolin-4-yl)morpholine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine with MolForge

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Related Compounds

5-bromo-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine;2-methoxy-N-methylethanamine
CID 157072568
N-(5-bromo-2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-(3-morpholin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 157495336
5-bromo-2-chloro-3-(dimethylsulfamoylamino)pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine;N,N-dimethylsulfamoyl chloride
CID 158824521
5-bromo-2-chloro-N,N-bis[(4-fluorophenyl)methyl]pyridin-3-amine;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide;7-bromo-2-methylquinoxaline;7-bromo-1H-quinoxalin-2-one;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;1H-quinoxalin-2-one
CID 159723105
5-bromo-2-chloropyridin-3-amine;2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
CID 160837476
6-bromo-4-chloroquinoline;N-[2-chloro-5-(4-chloroquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4-piperidin-1-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 161444011
5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)morpholine-4-sulfonamide;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]morpholine-4-sulfonamide
CID 161621127

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide;6-bromo-4-chloroquinoline;4-(6-bromoquinolin-4-yl)morpholine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine?
The IUPAC name of 5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide;6-bromo-4-chloroquinoline;4-(6-bromoquinolin-4-yl)morpholine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine (CID 162111876) is 5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide;6-bromo-4-chloroquinoline;4-(6-bromoquinolin-4-yl)morpholine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine.
What is the SMILES notation for 5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide;6-bromo-4-chloroquinoline;4-(6-bromoquinolin-4-yl)morpholine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine?
The canonical SMILES for 5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide;6-bromo-4-chloroquinoline;4-(6-bromoquinolin-4-yl)morpholine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine is Brc1ccc2nccc(N3CCOCC3)c2c1.CC1(C)OB(c2ccc3nccc(N4CCOCC4)c3c2)OC1(C)C.Clc1ccnc2ccc(Br)cc12.Nc1cc(Br)cnc1Cl.O=S(=O)(Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl)c1ccc(F)cc1.O=S(=O)(Nc1cc(Br)cnc1Cl)c1ccc(F)cc1.
What is the InChIKey of 5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide;6-bromo-4-chloroquinoline;4-(6-bromoquinolin-4-yl)morpholine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine?
The InChIKey is ZGGJWXFVGCFNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O3S.C19H25BN2O3.C13H13BrN2O.C11H7BrClFN2O2S.C9H5BrClN.C5H4BrClN2/c25-24-22(29-34(31,32)19-4-2-18(26)3-5-19)14-17(15-28-24)16-1-6-21-20(13-16)23(7-8-27-21)30-9-11-33-12-10-30;1-18(2)19(3,4)25-20(24-18)14-5-6-16-15(13-14)17(7-8-21-16)22-9-11-23-12-10-22;14-10-1-2-12-11(9-10)13(3-4-15-12)16-5-7-17-8-6-16;12-7-5-10(11(13)15-6-7)16-19(17,18)9-3-1-8(14)2-4-9;10-6-1-2-9-7(5-6)8(11)3-4-12-9;6-3-1-4(8)5(7)9-2-3/h1-8,13-15,29H,9-12H2;5-8,13H,9-12H2,1-4H3;1-4,9H,5-8H2;1-6,16H;1-5H;1-2H,8H2.
What are the key properties of 5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide;6-bromo-4-chloroquinoline;4-(6-bromoquinolin-4-yl)morpholine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine?
5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide;6-bromo-4-chloroquinoline;4-(6-bromoquinolin-4-yl)morpholine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine has a molecular weight of 1947.93 g/mol, XLogP of 19.10, 11 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide;6-bromo-4-chloroquinoline;4-(6-bromoquinolin-4-yl)morpholine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine is sourced from PubChem (CID 162111876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).