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

C77H62BBr5Cl4F4N14O8S2 — CID 159723105

IUPAC5-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
SMILESCC1(C)OB(c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)OC1(C)C.Cc1cnc2ccc(Br)cc2n1.Fc1ccc(CN(Cc2ccc(F)cc2)c2cc(Br)cnc2Cl)cc1.Nc1cc(Br)cnc1Cl.O=S(=O)(Nc1cc(Br)cnc1Cl)c1ccc(F)cc1.O=c1cnc2ccc(Br)cc2[nH]1.O=c1cnc2ccccc2[nH]1
InChIInChI=1S/C19H14BrClF2N2.C17H19BClFN2O4S.C11H7BrClFN2O2S.C9H7BrN2.C8H5BrN2O.C8H6N2O.C5H4BrClN2/c20-15-9-18(19(21)24-10-15)25(11-13-1-5-16(22)6-2-13)12-14-3-7-17(23)8-4-14;1-16(2)17(3,4)26-18(25-16)11-9-14(15(19)21-10-11)22-27(23,24)13-7-5-12(20)6-8-13;12-7-5-10(11(13)15-6-7)16-19(17,18)9-3-1-8(14)2-4-9;1-6-5-11-8-3-2-7(10)4-9(8)12-6;9-5-1-2-6-7(3-5)11-8(12)4-10-6;11-8-5-9-6-3-1-2-4-7(6)10-8;6-3-1-4(8)5(7)9-2-3/h1-10H,11-12H2;5-10,22H,1-4H3;1-6,16H;2-5H,1H3;1-4H,(H,11,12);1-5H,(H,10,11);1-2H,8H2
InChIKeyNAHFPVBPUZENBQ-UHFFFAOYSA-N
MW2003.70 g/mol
LogP19.78
Rot. Bonds12

About 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

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 (PubChem CID 159723105) has the molecular formula C77H62BBr5Cl4F4N14O8S2 and a molecular weight of 2003.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID159723105
Molecular FormulaC77H62BBr5Cl4F4N14O8S2
Molecular Weight2003.70 g/mol
Exact Mass1995.90
IUPAC Name5-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
SMILESCC1(C)OB(c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)OC1(C)C.Cc1cnc2ccc(Br)cc2n1.Fc1ccc(CN(Cc2ccc(F)cc2)c2cc(Br)cnc2Cl)cc1.Nc1cc(Br)cnc1Cl.O=S(=O)(Nc1cc(Br)cnc1Cl)c1ccc(F)cc1.O=c1cnc2ccc(Br)cc2[nH]1.O=c1cnc2ccccc2[nH]1
InChIInChI=1S/C19H14BrClF2N2.C17H19BClFN2O4S.C11H7BrClFN2O2S.C9H7BrN2.C8H5BrN2O.C8H6N2O.C5H4BrClN2/c20-15-9-18(19(21)24-10-15)25(11-13-1-5-16(22)6-2-13)12-14-3-7-17(23)8-4-14;1-16(2)17(3,4)26-18(25-16)11-9-14(15(19)21-10-11)22-27(23,24)13-7-5-12(20)6-8-13;12-7-5-10(11(13)15-6-7)16-19(17,18)9-3-1-8(14)2-4-9;1-6-5-11-8-3-2-7(10)4-9(8)12-6;9-5-1-2-6-7(3-5)11-8(12)4-10-6;11-8-5-9-6-3-1-2-4-7(6)10-8;6-3-1-4(8)5(7)9-2-3/h1-10H,11-12H2;5-10,22H,1-4H3;1-6,16H;2-5H,1H3;1-4H,(H,11,12);1-5H,(H,10,11);1-2H,8H2
InChIKeyNAHFPVBPUZENBQ-UHFFFAOYSA-N
XLogP19.78
TPSA308.90 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002003.70
LogP ≤ 519.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-[2-chloro-5-(3-chloroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(3-pyridin-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 158840474
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)-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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)OB(c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)OC1(C)C.Cc1cnc2ccc(Br)cc2n1.Fc1ccc(CN(Cc2ccc(F)cc2)c2cc(Br)cnc2Cl)cc1.Nc1cc(Br)cnc1Cl.O=S(=O)(Nc1cc(Br)cnc1Cl)c1ccc(F)cc1.O=c1cnc2ccc(Br)cc2[nH]1.O=c1cnc2ccccc2[nH]1.
What is the InChIKey of 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?
The InChIKey is NAHFPVBPUZENBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrClF2N2.C17H19BClFN2O4S.C11H7BrClFN2O2S.C9H7BrN2.C8H5BrN2O.C8H6N2O.C5H4BrClN2/c20-15-9-18(19(21)24-10-15)25(11-13-1-5-16(22)6-2-13)12-14-3-7-17(23)8-4-14;1-16(2)17(3,4)26-18(25-16)11-9-14(15(19)21-10-11)22-27(23,24)13-7-5-12(20)6-8-13;12-7-5-10(11(13)15-6-7)16-19(17,18)9-3-1-8(14)2-4-9;1-6-5-11-8-3-2-7(10)4-9(8)12-6;9-5-1-2-6-7(3-5)11-8(12)4-10-6;11-8-5-9-6-3-1-2-4-7(6)10-8;6-3-1-4(8)5(7)9-2-3/h1-10H,11-12H2;5-10,22H,1-4H3;1-6,16H;2-5H,1H3;1-4H,(H,11,12);1-5H,(H,10,11);1-2H,8H2.
What are the key properties of 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?
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 has a molecular weight of 2003.70 g/mol, XLogP of 19.78, 12 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159723105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).