6-bromo-2-iodopyridin-3-amine;6-bromo-1H-1,5-naphthyridin-2-one;6-bromopyridin-3-amine;6-bromo-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one;tert-butyl 5-methyl-2-oxopiperidine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;ethyl (E)-3-(3-amino-6-bromo-2-pyridinyl)prop-2-enoate;ethyl prop-2-enoate

C87H119BBr5F3IN13O19SSi — CID 165064829

IUPAC6-bromo-2-iodopyridin-3-amine;6-bromo-1H-1,5-naphthyridin-2-one;6-bromopyridin-3-amine;6-bromo-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one;tert-butyl 5-methyl-2-oxopiperidine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;ethyl (E)-3-(3-amino-6-bromo-2-pyridinyl)prop-2-enoate;ethyl prop-2-enoate
SMILESC=CC(=O)OCC.CC1CC=C(B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1.CC1CC=C(OS(=O)(=O)C(F)(F)F)N(C(=O)OC(C)(C)C)C1.CC1CCC(=O)N(C(=O)OC(C)(C)C)C1.CCOC(=O)/C=C/c1nc(Br)ccc1N.C[Si](C)(C)CCOCn1c(=O)ccc2nc(Br)ccc21.Nc1ccc(Br)nc1.Nc1ccc(Br)nc1I.O=c1ccc2nc(Br)ccc2[nH]1
InChIInChI=1S/C17H30BNO4.C14H19BrN2O2Si.C12H18F3NO5S.C11H19NO3.C10H11BrN2O2.C8H5BrN2O.C5H4BrIN2.C5H5BrN2.C5H8O2/c1-12-9-10-13(18-22-16(5,6)17(7,8)23-18)19(11-12)14(20)21-15(2,3)4;1-20(2,3)9-8-19-10-17-12-5-6-13(15)16-11(12)4-7-14(17)18;1-8-5-6-9(21-22(18,19)12(13,14)15)16(7-8)10(17)20-11(2,3)4;1-8-5-6-9(13)12(7-8)10(14)15-11(2,3)4;1-2-15-10(14)6-4-8-7(12)3-5-9(11)13-8;9-7-3-1-6-5(10-7)2-4-8(12)11-6;6-4-2-1-3(8)5(7)9-4;6-5-2-1-4(7)3-8-5;1-3-5(6)7-4-2/h10,12H,9,11H2,1-8H3;4-7H,8-10H2,1-3H3;6,8H,5,7H2,1-4H3;8H,5-7H2,1-4H3;3-6H,2,12H2,1H3;1-4H,(H,11,12);1-2H,8H2;1-3H,7H2;3H,1,4H2,2H3/b;;;;6-4+;;;;
InChIKeyRUGSDPQJDRWQRM-SXYRVDFXSA-N
MW2305.36 g/mol
LogP20.28
Rot. Bonds13

About 6-bromo-2-iodopyridin-3-amine;6-bromo-1H-1,5-naphthyridin-2-one;6-bromopyridin-3-amine;6-bromo-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one;tert-butyl 5-methyl-2-oxopiperidine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;ethyl (E)-3-(3-amino-6-bromo-2-pyridinyl)prop-2-enoate;ethyl prop-2-enoate

6-bromo-2-iodopyridin-3-amine;6-bromo-1H-1,5-naphthyridin-2-one;6-bromopyridin-3-amine;6-bromo-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one;tert-butyl 5-methyl-2-oxopiperidine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;ethyl (E)-3-(3-amino-6-bromo-2-pyridinyl)prop-2-enoate;ethyl prop-2-enoate (PubChem CID 165064829) has the molecular formula C87H119BBr5F3IN13O19SSi and a molecular weight of 2305.36 g/mol. Its IUPAC name is 6-bromo-2-iodopyridin-3-amine;6-bromo-1H-1,5-naphthyridin-2-one;6-bromopyridin-3-amine;6-bromo-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one;tert-butyl 5-methyl-2-oxopiperidine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;ethyl (E)-3-(3-amino-6-bromo-2-pyridinyl)prop-2-enoate;ethyl prop-2-enoate.

Molecular Properties

Compound Name6-bromo-2-iodopyridin-3-amine;6-bromo-1H-1,5-naphthyridin-2-one;6-bromopyridin-3-amine;6-bromo-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one;tert-butyl 5-methyl-2-oxopiperidine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;ethyl (E)-3-(3-amino-6-bromo-2-pyridinyl)prop-2-enoate;ethyl prop-2-enoate
PubChem CID165064829
Molecular FormulaC87H119BBr5F3IN13O19SSi
Molecular Weight2305.36 g/mol
Exact Mass2299.32
IUPAC Name6-bromo-2-iodopyridin-3-amine;6-bromo-1H-1,5-naphthyridin-2-one;6-bromopyridin-3-amine;6-bromo-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one;tert-butyl 5-methyl-2-oxopiperidine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;ethyl (E)-3-(3-amino-6-bromo-2-pyridinyl)prop-2-enoate;ethyl prop-2-enoate
SMILESC=CC(=O)OCC.CC1CC=C(B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1.CC1CC=C(OS(=O)(=O)C(F)(F)F)N(C(=O)OC(C)(C)C)C1.CC1CCC(=O)N(C(=O)OC(C)(C)C)C1.CCOC(=O)/C=C/c1nc(Br)ccc1N.C[Si](C)(C)CCOCn1c(=O)ccc2nc(Br)ccc21.Nc1ccc(Br)nc1.Nc1ccc(Br)nc1I.O=c1ccc2nc(Br)ccc2[nH]1
InChIInChI=1S/C17H30BNO4.C14H19BrN2O2Si.C12H18F3NO5S.C11H19NO3.C10H11BrN2O2.C8H5BrN2O.C5H4BrIN2.C5H5BrN2.C5H8O2/c1-12-9-10-13(18-22-16(5,6)17(7,8)23-18)19(11-12)14(20)21-15(2,3)4;1-20(2,3)9-8-19-10-17-12-5-6-13(15)16-11(12)4-7-14(17)18;1-8-5-6-9(21-22(18,19)12(13,14)15)16(7-8)10(17)20-11(2,3)4;1-8-5-6-9(13)12(7-8)10(14)15-11(2,3)4;1-2-15-10(14)6-4-8-7(12)3-5-9(11)13-8;9-7-3-1-6-5(10-7)2-4-8(12)11-6;6-4-2-1-3(8)5(7)9-4;6-5-2-1-4(7)3-8-5;1-3-5(6)7-4-2/h10,12H,9,11H2,1-8H3;4-7H,8-10H2,1-3H3;6,8H,5,7H2,1-4H3;8H,5-7H2,1-4H3;3-6H,2,12H2,1H3;1-4H,(H,11,12);1-2H,8H2;1-3H,7H2;3H,1,4H2,2H3/b;;;;6-4+;;;;
InChIKeyRUGSDPQJDRWQRM-SXYRVDFXSA-N
XLogP20.28
TPSA426.72 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds13
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002305.36
LogP ≤ 520.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 6-bromo-2-iodopyridin-3-amine;6-bromo-1H-1,5-naphthyridin-2-one;6-bromopyridin-3-amine;6-bromo-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one;tert-butyl 5-methyl-2-oxopiperidine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;ethyl (E)-3-(3-amino-6-bromo-2-pyridinyl)prop-2-enoate;ethyl prop-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

6-bromo-1H-1,5-naphthyridin-2-one;6-bromo-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one;tert-butyl 3-methyl-6-[6-oxo-5-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;bis(tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate);tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;ethyl 3-(3-amino-6-bromo-2-pyridinyl)prop-2-enoate;6-(5-methylpiperidin-2-yl)-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one;6-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one
CID 165073163

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-iodopyridin-3-amine;6-bromo-1H-1,5-naphthyridin-2-one;6-bromopyridin-3-amine;6-bromo-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one;tert-butyl 5-methyl-2-oxopiperidine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;ethyl (E)-3-(3-amino-6-bromo-2-pyridinyl)prop-2-enoate;ethyl prop-2-enoate?
The IUPAC name of 6-bromo-2-iodopyridin-3-amine;6-bromo-1H-1,5-naphthyridin-2-one;6-bromopyridin-3-amine;6-bromo-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one;tert-butyl 5-methyl-2-oxopiperidine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;ethyl (E)-3-(3-amino-6-bromo-2-pyridinyl)prop-2-enoate;ethyl prop-2-enoate (CID 165064829) is 6-bromo-2-iodopyridin-3-amine;6-bromo-1H-1,5-naphthyridin-2-one;6-bromopyridin-3-amine;6-bromo-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one;tert-butyl 5-methyl-2-oxopiperidine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;ethyl (E)-3-(3-amino-6-bromo-2-pyridinyl)prop-2-enoate;ethyl prop-2-enoate.
What is the SMILES notation for 6-bromo-2-iodopyridin-3-amine;6-bromo-1H-1,5-naphthyridin-2-one;6-bromopyridin-3-amine;6-bromo-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one;tert-butyl 5-methyl-2-oxopiperidine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;ethyl (E)-3-(3-amino-6-bromo-2-pyridinyl)prop-2-enoate;ethyl prop-2-enoate?
The canonical SMILES for 6-bromo-2-iodopyridin-3-amine;6-bromo-1H-1,5-naphthyridin-2-one;6-bromopyridin-3-amine;6-bromo-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one;tert-butyl 5-methyl-2-oxopiperidine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;ethyl (E)-3-(3-amino-6-bromo-2-pyridinyl)prop-2-enoate;ethyl prop-2-enoate is C=CC(=O)OCC.CC1CC=C(B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1.CC1CC=C(OS(=O)(=O)C(F)(F)F)N(C(=O)OC(C)(C)C)C1.CC1CCC(=O)N(C(=O)OC(C)(C)C)C1.CCOC(=O)/C=C/c1nc(Br)ccc1N.C[Si](C)(C)CCOCn1c(=O)ccc2nc(Br)ccc21.Nc1ccc(Br)nc1.Nc1ccc(Br)nc1I.O=c1ccc2nc(Br)ccc2[nH]1.
What is the InChIKey of 6-bromo-2-iodopyridin-3-amine;6-bromo-1H-1,5-naphthyridin-2-one;6-bromopyridin-3-amine;6-bromo-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one;tert-butyl 5-methyl-2-oxopiperidine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;ethyl (E)-3-(3-amino-6-bromo-2-pyridinyl)prop-2-enoate;ethyl prop-2-enoate?
The InChIKey is RUGSDPQJDRWQRM-SXYRVDFXSA-N. The full InChI is InChI=1S/C17H30BNO4.C14H19BrN2O2Si.C12H18F3NO5S.C11H19NO3.C10H11BrN2O2.C8H5BrN2O.C5H4BrIN2.C5H5BrN2.C5H8O2/c1-12-9-10-13(18-22-16(5,6)17(7,8)23-18)19(11-12)14(20)21-15(2,3)4;1-20(2,3)9-8-19-10-17-12-5-6-13(15)16-11(12)4-7-14(17)18;1-8-5-6-9(21-22(18,19)12(13,14)15)16(7-8)10(17)20-11(2,3)4;1-8-5-6-9(13)12(7-8)10(14)15-11(2,3)4;1-2-15-10(14)6-4-8-7(12)3-5-9(11)13-8;9-7-3-1-6-5(10-7)2-4-8(12)11-6;6-4-2-1-3(8)5(7)9-4;6-5-2-1-4(7)3-8-5;1-3-5(6)7-4-2/h10,12H,9,11H2,1-8H3;4-7H,8-10H2,1-3H3;6,8H,5,7H2,1-4H3;8H,5-7H2,1-4H3;3-6H,2,12H2,1H3;1-4H,(H,11,12);1-2H,8H2;1-3H,7H2;3H,1,4H2,2H3/b;;;;6-4+;;;;.
What are the key properties of 6-bromo-2-iodopyridin-3-amine;6-bromo-1H-1,5-naphthyridin-2-one;6-bromopyridin-3-amine;6-bromo-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one;tert-butyl 5-methyl-2-oxopiperidine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;ethyl (E)-3-(3-amino-6-bromo-2-pyridinyl)prop-2-enoate;ethyl prop-2-enoate?
6-bromo-2-iodopyridin-3-amine;6-bromo-1H-1,5-naphthyridin-2-one;6-bromopyridin-3-amine;6-bromo-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one;tert-butyl 5-methyl-2-oxopiperidine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;ethyl (E)-3-(3-amino-6-bromo-2-pyridinyl)prop-2-enoate;ethyl prop-2-enoate has a molecular weight of 2305.36 g/mol, XLogP of 20.28, 13 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-iodopyridin-3-amine;6-bromo-1H-1,5-naphthyridin-2-one;6-bromopyridin-3-amine;6-bromo-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one;tert-butyl 5-methyl-2-oxopiperidine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;ethyl (E)-3-(3-amino-6-bromo-2-pyridinyl)prop-2-enoate;ethyl prop-2-enoate is sourced from PubChem (CID 165064829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).