6'-bromo-2-methyl-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine;6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one;(6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-ylidene)cyanamide;N-methylhydroxylamine;N-trimethylsilylethenimine;hydrochloride

C51H52Br3ClN10O6Si — CID 159054658

IUPAC6'-bromo-2-methyl-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine;6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one;(6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-ylidene)cyanamide;N-methylhydroxylamine;N-trimethylsilylethenimine;hydrochloride
SMILESC=C=N[Si](C)(C)C.CN1OC2(CC(c3cccnc3)Oc3ccc(Br)cc32)N=C1N.CNO.Cl.N#C/N=C1\CC(c2cccnc2)Oc2ccc(Br)cc21.O=C1CC(c2cccnc2)Oc2ccc(Br)cc21
InChIInChI=1S/C16H15BrN4O2.C15H10BrN3O.C14H10BrNO2.C5H11NSi.CH5NO.ClH/c1-21-15(18)20-16(23-21)8-14(10-3-2-6-19-9-10)22-13-5-4-11(17)7-12(13)16;16-11-3-4-14-12(6-11)13(19-9-17)7-15(20-14)10-2-1-5-18-8-10;15-10-3-4-13-11(6-10)12(17)7-14(18-13)9-2-1-5-16-8-9;1-5-6-7(2,3)4;1-2-3;/h2-7,9,14H,8H2,1H3,(H2,18,20);1-6,8,15H,7H2;1-6,8,14H,7H2;1H2,2-4H3;2-3H,1H3;1H/b;19-13+;;;;
InChIKeyLRJKIJPJWJSKIJ-PMEQVPFSSA-N
MW1204.29 g/mol
LogP11.59
Rot. Bonds4

About 6'-bromo-2-methyl-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine;6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one;(6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-ylidene)cyanamide;N-methylhydroxylamine;N-trimethylsilylethenimine;hydrochloride

6'-bromo-2-methyl-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine;6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one;(6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-ylidene)cyanamide;N-methylhydroxylamine;N-trimethylsilylethenimine;hydrochloride (PubChem CID 159054658) has the molecular formula C51H52Br3ClN10O6Si and a molecular weight of 1204.29 g/mol. Its IUPAC name is 6'-bromo-2-methyl-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine;6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one;(6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-ylidene)cyanamide;N-methylhydroxylamine;N-trimethylsilylethenimine;hydrochloride.

Molecular Properties

Compound Name6'-bromo-2-methyl-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine;6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one;(6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-ylidene)cyanamide;N-methylhydroxylamine;N-trimethylsilylethenimine;hydrochloride
PubChem CID159054658
Molecular FormulaC51H52Br3ClN10O6Si
Molecular Weight1204.29 g/mol
Exact Mass1200.11
IUPAC Name6'-bromo-2-methyl-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine;6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one;(6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-ylidene)cyanamide;N-methylhydroxylamine;N-trimethylsilylethenimine;hydrochloride
SMILESC=C=N[Si](C)(C)C.CN1OC2(CC(c3cccnc3)Oc3ccc(Br)cc32)N=C1N.CNO.Cl.N#C/N=C1\CC(c2cccnc2)Oc2ccc(Br)cc21.O=C1CC(c2cccnc2)Oc2ccc(Br)cc21
InChIInChI=1S/C16H15BrN4O2.C15H10BrN3O.C14H10BrNO2.C5H11NSi.CH5NO.ClH/c1-21-15(18)20-16(23-21)8-14(10-3-2-6-19-9-10)22-13-5-4-11(17)7-12(13)16;16-11-3-4-14-12(6-11)13(19-9-17)7-15(20-14)10-2-1-5-18-8-10;15-10-3-4-13-11(6-10)12(17)7-14(18-13)9-2-1-5-16-8-9;1-5-6-7(2,3)4;1-2-3;/h2-7,9,14H,8H2,1H3,(H2,18,20);1-6,8,15H,7H2;1-6,8,14H,7H2;1H2,2-4H3;2-3H,1H3;1H/b;19-13+;;;;
InChIKeyLRJKIJPJWJSKIJ-PMEQVPFSSA-N
XLogP11.59
TPSA215.05 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001204.29
LogP ≤ 511.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6'-bromo-2-methyl-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine;6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one;(6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-ylidene)cyanamide;N-methylhydroxylamine;N-trimethylsilylethenimine;hydrochloride with MolForge

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Related Compounds

3-(3-amino-2-methyl-2'-phenylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl)benzonitrile;N,N'-bis(trimethylsilyl)methanediimine;6'-bromo-2-methyl-2'-phenylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine;6-bromo-2-phenyl-2,3-dihydrochromen-4-one;(6-bromo-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide;ethane;N-methylhydroxylamine;hydrochloride
CID 158163076
3-(3-amino-2-methyl-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl)benzonitrile
CID 58424550
(2R)-6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one
CID 40901085
CID 161314465
CID 161314465
2-acetyl-4-bromocyclohexa-2,4-dien-1-one;N,N'-bis(trimethylsilyl)methanediimine;6-bromo-2-(2,2-dimethyloxan-4-yl)-2,3-dihydrochromen-4-one;2-(2,2-dimethyloxan-4-yl)-6-(3-isocyanophenyl)-2,3-dihydrochromen-4-one;[2-(2,2-dimethyloxan-4-yl)-6-(3-isocyanophenyl)-2,3-dihydrochromen-4-ylidene]cyanamide;2'-(2,2-dimethyloxan-4-yl)-6'-(3-isocyanophenyl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine;ethane;4-methoxy-2,2-dimethyloxane;N-methylhydroxylamine;hydrochloride
CID 176525172
6'-(3-isocyanophenyl)-2-methyl-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine
CID 58423824
CID 159304384
CID 159304384
(6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide;6-methyl-2-phenyl-2,3-dihydrochromen-4-one
CID 123383733
(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one
CID 71059551
(6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide
CID 58424361
CID 162001250
CID 162001250
2-[3-amino-2-methyl-2'-[4-(trifluoromethoxy)phenyl]spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]benzonitrile
CID 90465488

Frequently Asked Questions

What is the IUPAC name of 6'-bromo-2-methyl-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine;6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one;(6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-ylidene)cyanamide;N-methylhydroxylamine;N-trimethylsilylethenimine;hydrochloride?
The IUPAC name of 6'-bromo-2-methyl-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine;6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one;(6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-ylidene)cyanamide;N-methylhydroxylamine;N-trimethylsilylethenimine;hydrochloride (CID 159054658) is 6'-bromo-2-methyl-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine;6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one;(6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-ylidene)cyanamide;N-methylhydroxylamine;N-trimethylsilylethenimine;hydrochloride.
What is the SMILES notation for 6'-bromo-2-methyl-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine;6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one;(6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-ylidene)cyanamide;N-methylhydroxylamine;N-trimethylsilylethenimine;hydrochloride?
The canonical SMILES for 6'-bromo-2-methyl-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine;6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one;(6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-ylidene)cyanamide;N-methylhydroxylamine;N-trimethylsilylethenimine;hydrochloride is C=C=N[Si](C)(C)C.CN1OC2(CC(c3cccnc3)Oc3ccc(Br)cc32)N=C1N.CNO.Cl.N#C/N=C1\CC(c2cccnc2)Oc2ccc(Br)cc21.O=C1CC(c2cccnc2)Oc2ccc(Br)cc21.
What is the InChIKey of 6'-bromo-2-methyl-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine;6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one;(6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-ylidene)cyanamide;N-methylhydroxylamine;N-trimethylsilylethenimine;hydrochloride?
The InChIKey is LRJKIJPJWJSKIJ-PMEQVPFSSA-N. The full InChI is InChI=1S/C16H15BrN4O2.C15H10BrN3O.C14H10BrNO2.C5H11NSi.CH5NO.ClH/c1-21-15(18)20-16(23-21)8-14(10-3-2-6-19-9-10)22-13-5-4-11(17)7-12(13)16;16-11-3-4-14-12(6-11)13(19-9-17)7-15(20-14)10-2-1-5-18-8-10;15-10-3-4-13-11(6-10)12(17)7-14(18-13)9-2-1-5-16-8-9;1-5-6-7(2,3)4;1-2-3;/h2-7,9,14H,8H2,1H3,(H2,18,20);1-6,8,15H,7H2;1-6,8,14H,7H2;1H2,2-4H3;2-3H,1H3;1H/b;19-13+;;;;.
What are the key properties of 6'-bromo-2-methyl-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine;6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one;(6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-ylidene)cyanamide;N-methylhydroxylamine;N-trimethylsilylethenimine;hydrochloride?
6'-bromo-2-methyl-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine;6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one;(6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-ylidene)cyanamide;N-methylhydroxylamine;N-trimethylsilylethenimine;hydrochloride has a molecular weight of 1204.29 g/mol, XLogP of 11.59, 4 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-bromo-2-methyl-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine;6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one;(6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-ylidene)cyanamide;N-methylhydroxylamine;N-trimethylsilylethenimine;hydrochloride is sourced from PubChem (CID 159054658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).