5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-2-one;tert-butyl 7-bromo-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;tert-butyl 2-oxo-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methylamino]acetate;methane;7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-4-(2,2,2-trifluoroacetyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide

C95H124Br6F3N19O13 — CID 157069510

About 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-2-one;tert-butyl 7-bromo-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;tert-butyl 2-oxo-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methylamino]acetate;methane;7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-4-(2,2,2-trifluoroacetyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide

5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-2-one;tert-butyl 7-bromo-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;tert-butyl 2-oxo-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methylamino]acetate;methane;7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-4-(2,2,2-trifluoroacetyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide (PubChem CID 157069510) has the molecular formula C95H124Br6F3N19O13 and a molecular weight of 2276.57 g/mol. Its IUPAC name is 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-2-one;tert-butyl 7-bromo-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;tert-butyl 2-oxo-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methylamino]acetate;methane;7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-4-(2,2,2-trifluoroacetyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide.

Molecular Properties

• Compound Name: 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-2-one;tert-butyl 7-bromo-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;tert-butyl 2-oxo-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methylamino]acetate;methane;7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-4-(2,2,2-trifluoroacetyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide
• PubChem CID: 157069510
• Molecular Formula: C95H124Br6F3N19O13
• Molecular Weight: 2276.57 g/mol
• Exact Mass: 2269.47
• IUPAC Name: 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-2-one;tert-butyl 7-bromo-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;tert-butyl 2-oxo-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methylamino]acetate;methane;7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-4-(2,2,2-trifluoroacetyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide
• SMILES: Br.C.C.C.C.C.C.C.CC(C)(C)OC(=O)N1CC(=O)Nc2ncc(/C=C/C(=O)N3CC=C(c4ccccc4)CC3)cc2C1.CC(C)(C)OC(=O)N1CC(=O)Nc2ncc(Br)cc2C1.CCOC(=O)CNCc1cc(Br)cnc1N.Nc1ncc(Br)cc1CBr.O=C1CN(C(=O)C(F)(F)F)Cc2cc(/C=C/C(=O)N3CC=C(c4ccccc4)CC3)cnc2N1.O=C1CNCc2cc(Br)cnc2N1
• InChI: InChI=1S/C27H30N4O4.C24H21F3N4O3.C13H16BrN3O3.C10H14BrN3O2.C8H8BrN3O.C6H6Br2N2.7CH4.BrH/c1-27(2,3)35-26(34)31-17-22-15-19(16-28-25(22)29-23(32)18-31)9-10-24(33)30-13-11-21(12-14-30)20-7-5-4-6-8-20;25-24(26,27)23(34)31-14-19-12-16(13-28-22(19)29-20(32)15-31)6-7-21(33)30-10-8-18(9-11-30)17-4-2-1-3-5-17;1-13(2,3)20-12(19)17-6-8-4-9(14)5-15-11(8)16-10(18)7-17;1-2-16-9(15)6-13-4-7-3-8(11)5-14-10(7)12;9-6-1-5-2-10-4-7(13)12-8(5)11-3-6;7-2-4-1-5(8)3-10-6(4)9;;;;;;;;/h4-11,15-16H,12-14,17-18H2,1-3H3,(H,28,29,32);1-8,12-13H,9-11,14-15H2,(H,28,29,32);4-5H,6-7H2,1-3H3,(H,15,16,18);3,5,13H,2,4,6H2,1H3,(H2,12,14);1,3,10H,2,4H2,(H,11,12,13);1,3H,2H2,(H2,9,10);7*1H4;1H/b10-9+;7-6+
• InChIKey: CDLYNULMAJWWEH-QJIZSBQRSA-N
• XLogP: 19.20
• TPSA: 416.15 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2276.57
LogP ≤ 5	19.20
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-2-one;tert-butyl 7-bromo-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;tert-butyl 2-oxo-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methylamino]acetate;methane;7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-4-(2,2,2-trifluoroacetyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide?

The IUPAC name of 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-2-one;tert-butyl 7-bromo-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;tert-butyl 2-oxo-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methylamino]acetate;methane;7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-4-(2,2,2-trifluoroacetyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide (CID 157069510) is 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-2-one;tert-butyl 7-bromo-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;tert-butyl 2-oxo-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methylamino]acetate;methane;7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-4-(2,2,2-trifluoroacetyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide.

What is the SMILES notation for 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-2-one;tert-butyl 7-bromo-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;tert-butyl 2-oxo-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methylamino]acetate;methane;7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-4-(2,2,2-trifluoroacetyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide?

The canonical SMILES for 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-2-one;tert-butyl 7-bromo-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;tert-butyl 2-oxo-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methylamino]acetate;methane;7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-4-(2,2,2-trifluoroacetyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide is Br.C.C.C.C.C.C.C.CC(C)(C)OC(=O)N1CC(=O)Nc2ncc(/C=C/C(=O)N3CC=C(c4ccccc4)CC3)cc2C1.CC(C)(C)OC(=O)N1CC(=O)Nc2ncc(Br)cc2C1.CCOC(=O)CNCc1cc(Br)cnc1N.Nc1ncc(Br)cc1CBr.O=C1CN(C(=O)C(F)(F)F)Cc2cc(/C=C/C(=O)N3CC=C(c4ccccc4)CC3)cnc2N1.O=C1CNCc2cc(Br)cnc2N1.

What is the InChIKey of 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-2-one;tert-butyl 7-bromo-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;tert-butyl 2-oxo-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methylamino]acetate;methane;7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-4-(2,2,2-trifluoroacetyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide?

The InChIKey is CDLYNULMAJWWEH-QJIZSBQRSA-N. The full InChI is InChI=1S/C27H30N4O4.C24H21F3N4O3.C13H16BrN3O3.C10H14BrN3O2.C8H8BrN3O.C6H6Br2N2.7CH4.BrH/c1-27(2,3)35-26(34)31-17-22-15-19(16-28-25(22)29-23(32)18-31)9-10-24(33)30-13-11-21(12-14-30)20-7-5-4-6-8-20;25-24(26,27)23(34)31-14-19-12-16(13-28-22(19)29-20(32)15-31)6-7-21(33)30-10-8-18(9-11-30)17-4-2-1-3-5-17;1-13(2,3)20-12(19)17-6-8-4-9(14)5-15-11(8)16-10(18)7-17;1-2-16-9(15)6-13-4-7-3-8(11)5-14-10(7)12;9-6-1-5-2-10-4-7(13)12-8(5)11-3-6;7-2-4-1-5(8)3-10-6(4)9;;;;;;;;/h4-11,15-16H,12-14,17-18H2,1-3H3,(H,28,29,32);1-8,12-13H,9-11,14-15H2,(H,28,29,32);4-5H,6-7H2,1-3H3,(H,15,16,18);3,5,13H,2,4,6H2,1H3,(H2,12,14);1,3,10H,2,4H2,(H,11,12,13);1,3H,2H2,(H2,9,10);7*1H4;1H/b10-9+;7-6+;;;;;;;;;;;;.

What are the key properties of 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-2-one;tert-butyl 7-bromo-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;tert-butyl 2-oxo-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methylamino]acetate;methane;7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-4-(2,2,2-trifluoroacetyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide?

5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-2-one;tert-butyl 7-bromo-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;tert-butyl 2-oxo-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methylamino]acetate;methane;7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-4-(2,2,2-trifluoroacetyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide has a molecular weight of 2276.57 g/mol, XLogP of 19.20, 12 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-2-one;tert-butyl 7-bromo-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;tert-butyl 2-oxo-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methylamino]acetate;methane;7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-4-(2,2,2-trifluoroacetyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide is sourced from PubChem (CID 157069510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).