1-bromo-2-chloroethane;2-(5-bromo-3-pyridinyl)acetonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carbonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carboxamide;6-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;hydrogen peroxide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C60H68BBr4ClN14O8 — CID 158845009

IUPAC1-bromo-2-chloroethane;2-(5-bromo-3-pyridinyl)acetonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carbonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carboxamide;6-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;hydrogen peroxide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.ClCCBr.N#CC1(c2cncc(Br)c2)CC1.N#CCc1cncc(Br)c1.NC(=O)C1(c2cncc(Br)c2)CC1.NC(=O)N1CCCc2cc(-c3cncc(C4(C(N)=O)CC4)c3)cnc21.OO
InChIInChI=1S/C18H19N5O2.C15H22BN3O3.C9H9BrN2O.C9H7BrN2.C7H5BrN2.C2H4BrCl.H2O2/c19-16(24)18(3-4-18)14-7-13(8-21-10-14)12-6-11-2-1-5-23(17(20)25)15(11)22-9-12;1-14(2)15(3,4)22-16(21-14)11-8-10-6-5-7-19(13(17)20)12(10)18-9-11;10-7-3-6(4-12-5-7)9(1-2-9)8(11)13;10-8-3-7(4-12-5-8)9(6-11)1-2-9;8-7-3-6(1-2-9)4-10-5-7;3-1-2-4;1-2/h6-10H,1-5H2,(H2,19,24)(H2,20,25);8-9H,5-7H2,1-4H3,(H2,17,20);3-5H,1-2H2,(H2,11,13);3-5H,1-2H2;3-5H,1H2;1-2H2;1-2H
InChIKeyIYSFGJIENOJOCY-UHFFFAOYSA-N
MW1479.17 g/mol
LogP10.01
Rot. Bonds9

About 1-bromo-2-chloroethane;2-(5-bromo-3-pyridinyl)acetonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carbonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carboxamide;6-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;hydrogen peroxide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

1-bromo-2-chloroethane;2-(5-bromo-3-pyridinyl)acetonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carbonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carboxamide;6-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;hydrogen peroxide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 158845009) has the molecular formula C60H68BBr4ClN14O8 and a molecular weight of 1479.17 g/mol. Its IUPAC name is 1-bromo-2-chloroethane;2-(5-bromo-3-pyridinyl)acetonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carbonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carboxamide;6-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;hydrogen peroxide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name1-bromo-2-chloroethane;2-(5-bromo-3-pyridinyl)acetonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carbonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carboxamide;6-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;hydrogen peroxide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID158845009
Molecular FormulaC60H68BBr4ClN14O8
Molecular Weight1479.17 g/mol
Exact Mass1474.19
IUPAC Name1-bromo-2-chloroethane;2-(5-bromo-3-pyridinyl)acetonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carbonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carboxamide;6-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;hydrogen peroxide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.ClCCBr.N#CC1(c2cncc(Br)c2)CC1.N#CCc1cncc(Br)c1.NC(=O)C1(c2cncc(Br)c2)CC1.NC(=O)N1CCCc2cc(-c3cncc(C4(C(N)=O)CC4)c3)cnc21.OO
InChIInChI=1S/C18H19N5O2.C15H22BN3O3.C9H9BrN2O.C9H7BrN2.C7H5BrN2.C2H4BrCl.H2O2/c19-16(24)18(3-4-18)14-7-13(8-21-10-14)12-6-11-2-1-5-23(17(20)25)15(11)22-9-12;1-14(2)15(3,4)22-16(21-14)11-8-10-6-5-7-19(13(17)20)12(10)18-9-11;10-7-3-6(4-12-5-7)9(1-2-9)8(11)13;10-8-3-7(4-12-5-8)9(6-11)1-2-9;8-7-3-6(1-2-9)4-10-5-7;3-1-2-4;1-2/h6-10H,1-5H2,(H2,19,24)(H2,20,25);8-9H,5-7H2,1-4H3,(H2,17,20);3-5H,1-2H2,(H2,11,13);3-5H,1-2H2;3-5H,1H2;1-2H2;1-2H
InChIKeyIYSFGJIENOJOCY-UHFFFAOYSA-N
XLogP10.01
TPSA362.68 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001479.17
LogP ≤ 510.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 1-bromo-2-chloroethane;2-(5-bromo-3-pyridinyl)acetonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carbonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carboxamide;6-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;hydrogen peroxide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide with MolForge

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Related Compounds

1-bromo-2-(2-bromoethoxy)ethane;2-(5-bromo-3-pyridinyl)acetonitrile;4-(5-bromo-3-pyridinyl)oxane-4-carbonitrile;6-[5-(4-cyanooxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 158201286
3-bromo-5-(bromomethyl)pyridine;1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-one;cyclopentanone;6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 158288732
3-bromo-5-cyclopropylpyridine;6-(5-cyclopropyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 159303707
2-(5-bromo-3-pyridinyl)acetonitrile;2-(5-bromo-3-pyridinyl)propanenitrile;6-[5-(1-cyanoethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;iodomethane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 160165383
2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;6-[5-[2-(dimethylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-methylmethanamine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 161115565
6-[5-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1-acetylpiperidin-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 161936999
1-bromo-2-chloroethane;2-(5-bromo-3-pyridinyl)acetonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carbonitrile;6-[5-(1-cyanocyclopropyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 162034348

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloroethane;2-(5-bromo-3-pyridinyl)acetonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carbonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carboxamide;6-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;hydrogen peroxide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 1-bromo-2-chloroethane;2-(5-bromo-3-pyridinyl)acetonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carbonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carboxamide;6-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;hydrogen peroxide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 158845009) is 1-bromo-2-chloroethane;2-(5-bromo-3-pyridinyl)acetonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carbonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carboxamide;6-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;hydrogen peroxide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 1-bromo-2-chloroethane;2-(5-bromo-3-pyridinyl)acetonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carbonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carboxamide;6-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;hydrogen peroxide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 1-bromo-2-chloroethane;2-(5-bromo-3-pyridinyl)acetonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carbonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carboxamide;6-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;hydrogen peroxide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.ClCCBr.N#CC1(c2cncc(Br)c2)CC1.N#CCc1cncc(Br)c1.NC(=O)C1(c2cncc(Br)c2)CC1.NC(=O)N1CCCc2cc(-c3cncc(C4(C(N)=O)CC4)c3)cnc21.OO.
What is the InChIKey of 1-bromo-2-chloroethane;2-(5-bromo-3-pyridinyl)acetonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carbonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carboxamide;6-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;hydrogen peroxide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is IYSFGJIENOJOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2.C15H22BN3O3.C9H9BrN2O.C9H7BrN2.C7H5BrN2.C2H4BrCl.H2O2/c19-16(24)18(3-4-18)14-7-13(8-21-10-14)12-6-11-2-1-5-23(17(20)25)15(11)22-9-12;1-14(2)15(3,4)22-16(21-14)11-8-10-6-5-7-19(13(17)20)12(10)18-9-11;10-7-3-6(4-12-5-7)9(1-2-9)8(11)13;10-8-3-7(4-12-5-8)9(6-11)1-2-9;8-7-3-6(1-2-9)4-10-5-7;3-1-2-4;1-2/h6-10H,1-5H2,(H2,19,24)(H2,20,25);8-9H,5-7H2,1-4H3,(H2,17,20);3-5H,1-2H2,(H2,11,13);3-5H,1-2H2;3-5H,1H2;1-2H2;1-2H.
What are the key properties of 1-bromo-2-chloroethane;2-(5-bromo-3-pyridinyl)acetonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carbonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carboxamide;6-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;hydrogen peroxide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
1-bromo-2-chloroethane;2-(5-bromo-3-pyridinyl)acetonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carbonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carboxamide;6-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;hydrogen peroxide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 1479.17 g/mol, XLogP of 10.01, 9 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloroethane;2-(5-bromo-3-pyridinyl)acetonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carbonitrile;1-(5-bromo-3-pyridinyl)cyclopropane-1-carboxamide;6-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;hydrogen peroxide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 158845009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).