2-bromo-4-isocyanopyridine;tert-butyl N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;N'-hydroxy-2-(1-methylcyclopropyl)pyridine-4-carboximidamide;4-isocyano-2-(1-methylcyclopropyl)pyridine;4-isocyano-2-prop-1-en-2-ylpyridine;(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;1-methyl-N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydrochloride

C100H116BBrClF6N25O11 — CID 167532459

IUPAC2-bromo-4-isocyanopyridine;tert-butyl N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;N'-hydroxy-2-(1-methylcyclopropyl)pyridine-4-carboximidamide;4-isocyano-2-(1-methylcyclopropyl)pyridine;4-isocyano-2-prop-1-en-2-ylpyridine;(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;1-methyl-N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydrochloride
SMILESC=C(C)B1OC(C)(C)C(C)(C)O1.CC1(c2cc(C(N)=NO)ccn2)CC1.C[C@H](N)c1nc(-c2ccnc(C3(C)CC3)c2)no1.C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccnc(C3(C)CC3)c2)no1.C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(C3(C)CC3)c2)no1.Cl.Cn1nc(C(F)(F)F)cc1C(=O)O.[C-]#[N+]c1ccnc(Br)c1.[C-]#[N+]c1ccnc(C(=C)C)c1.[C-]#[N+]c1ccnc(C2(C)CC2)c1
InChIInChI=1S/C19H19F3N6O2.C18H24N4O3.C13H16N4O.C10H13N3O.C10H10N2.C9H17BO2.C9H8N2.C6H3BrN2.C6H5F3N2O2.ClH/c1-10(24-16(29)12-9-14(19(20,21)22)26-28(12)3)17-25-15(27-30-17)11-4-7-23-13(8-11)18(2)5-6-18;1-11(20-16(23)24-17(2,3)4)15-21-14(22-25-15)12-6-9-19-13(10-12)18(5)7-8-18;1-8(14)12-16-11(17-18-12)9-3-6-15-10(7-9)13(2)4-5-13;1-10(3-4-10)8-6-7(2-5-12-8)9(11)13-14;1-10(4-5-10)9-7-8(11-2)3-6-12-9;1-7(2)10-11-8(3,4)9(5,6)12-10;1-7(2)9-6-8(10-3)4-5-11-9;1-8-5-2-3-9-6(7)4-5;1-11-3(5(12)13)2-4(10-11)6(7,8)9;/h4,7-10H,5-6H2,1-3H3,(H,24,29);6,9-11H,7-8H2,1-5H3,(H,20,23);3,6-8H,4-5,14H2,1-2H3;2,5-6,14H,3-4H2,1H3,(H2,11,13);3,6-7H,4-5H2,1H3;1H2,2-6H3;4-6H,1H2,2H3;2-4H;2H,1H3,(H,12,13);1H/t10-;11-;8-;;;;;;;/m000......./s1
InChIKeyUCVXVAMCGVJQQT-DVUJEOSQSA-N
MW2084.35 g/mol
LogP22.12
Rot. Bonds18

About 2-bromo-4-isocyanopyridine;tert-butyl N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;N'-hydroxy-2-(1-methylcyclopropyl)pyridine-4-carboximidamide;4-isocyano-2-(1-methylcyclopropyl)pyridine;4-isocyano-2-prop-1-en-2-ylpyridine;(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;1-methyl-N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydrochloride

2-bromo-4-isocyanopyridine;tert-butyl N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;N'-hydroxy-2-(1-methylcyclopropyl)pyridine-4-carboximidamide;4-isocyano-2-(1-methylcyclopropyl)pyridine;4-isocyano-2-prop-1-en-2-ylpyridine;(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;1-methyl-N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydrochloride (PubChem CID 167532459) has the molecular formula C100H116BBrClF6N25O11 and a molecular weight of 2084.35 g/mol. Its IUPAC name is 2-bromo-4-isocyanopyridine;tert-butyl N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;N'-hydroxy-2-(1-methylcyclopropyl)pyridine-4-carboximidamide;4-isocyano-2-(1-methylcyclopropyl)pyridine;4-isocyano-2-prop-1-en-2-ylpyridine;(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;1-methyl-N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydrochloride.

Molecular Properties

Compound Name2-bromo-4-isocyanopyridine;tert-butyl N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;N'-hydroxy-2-(1-methylcyclopropyl)pyridine-4-carboximidamide;4-isocyano-2-(1-methylcyclopropyl)pyridine;4-isocyano-2-prop-1-en-2-ylpyridine;(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;1-methyl-N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydrochloride
PubChem CID167532459
Molecular FormulaC100H116BBrClF6N25O11
Molecular Weight2084.35 g/mol
Exact Mass2081.82
IUPAC Name2-bromo-4-isocyanopyridine;tert-butyl N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;N'-hydroxy-2-(1-methylcyclopropyl)pyridine-4-carboximidamide;4-isocyano-2-(1-methylcyclopropyl)pyridine;4-isocyano-2-prop-1-en-2-ylpyridine;(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;1-methyl-N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydrochloride
SMILESC=C(C)B1OC(C)(C)C(C)(C)O1.CC1(c2cc(C(N)=NO)ccn2)CC1.C[C@H](N)c1nc(-c2ccnc(C3(C)CC3)c2)no1.C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccnc(C3(C)CC3)c2)no1.C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(C3(C)CC3)c2)no1.Cl.Cn1nc(C(F)(F)F)cc1C(=O)O.[C-]#[N+]c1ccnc(Br)c1.[C-]#[N+]c1ccnc(C(=C)C)c1.[C-]#[N+]c1ccnc(C2(C)CC2)c1
InChIInChI=1S/C19H19F3N6O2.C18H24N4O3.C13H16N4O.C10H13N3O.C10H10N2.C9H17BO2.C9H8N2.C6H3BrN2.C6H5F3N2O2.ClH/c1-10(24-16(29)12-9-14(19(20,21)22)26-28(12)3)17-25-15(27-30-17)11-4-7-23-13(8-11)18(2)5-6-18;1-11(20-16(23)24-17(2,3)4)15-21-14(22-25-15)12-6-9-19-13(10-12)18(5)7-8-18;1-8(14)12-16-11(17-18-12)9-3-6-15-10(7-9)13(2)4-5-13;1-10(3-4-10)8-6-7(2-5-12-8)9(11)13-14;1-10(4-5-10)9-7-8(11-2)3-6-12-9;1-7(2)10-11-8(3,4)9(5,6)12-10;1-7(2)9-6-8(10-3)4-5-11-9;1-8-5-2-3-9-6(7)4-5;1-11-3(5(12)13)2-4(10-11)6(7,8)9;/h4,7-10H,5-6H2,1-3H3,(H,24,29);6,9-11H,7-8H2,1-5H3,(H,20,23);3,6-8H,4-5,14H2,1-2H3;2,5-6,14H,3-4H2,1H3,(H2,11,13);3,6-7H,4-5H2,1H3;1H2,2-6H3;4-6H,1H2,2H3;2-4H;2H,1H3,(H,12,13);1H/t10-;11-;8-;;;;;;;/m000......./s1
InChIKeyUCVXVAMCGVJQQT-DVUJEOSQSA-N
XLogP22.12
TPSA463.53 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds18
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002084.35
LogP ≤ 522.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-bromo-4-isocyanopyridine;tert-butyl N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;N'-hydroxy-2-(1-methylcyclopropyl)pyridine-4-carboximidamide;4-isocyano-2-(1-methylcyclopropyl)pyridine;4-isocyano-2-prop-1-en-2-ylpyridine;(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;1-methyl-N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydrochloride with MolForge

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Related Compounds

CID 167665835
CID 167665835
2-(bromomethyl)pyridine-4-carbonitrile;tert-butyl N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;cyclopropanol;2-(cyclopropyloxymethyl)-N'-hydroxypyridine-4-carboximidamide;2-(cyclopropyloxymethyl)pyridine-4-carbonitrile;(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxylamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;trihydrochloride
CID 172928138
4-bromo-2-cyclobutylpyridine;tert-butyl (2S)-2-aminopropanoate;tert-butyl (2S)-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoate;2-cyclobutyl-N'-hydroxypyridine-4-carboximidamide;2-cyclobutyl-4-isocyanopyridine;N-[1-[3-(2-cyclobutyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxylamine;1-methyl-N-[(2S)-3-oxobutan-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;2,2,2-trifluoroacetaldehyde;dihydrochloride
CID 172964923
tert-butyl N-[(1S)-1-[3-[2-(ethoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;2-(ethoxymethyl)-N'-hydroxypyridine-4-carboximidamide;2-(ethoxymethyl)-4-isocyanopyridine;(1S)-1-[3-[2-(ethoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1S)-1-[3-[2-(ethoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxylamine;4-isocyanopyridine;(4-isocyano-2-pyridinyl)methanol;methane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;dihydrochloride
CID 172966002

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-isocyanopyridine;tert-butyl N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;N'-hydroxy-2-(1-methylcyclopropyl)pyridine-4-carboximidamide;4-isocyano-2-(1-methylcyclopropyl)pyridine;4-isocyano-2-prop-1-en-2-ylpyridine;(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;1-methyl-N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydrochloride?
The IUPAC name of 2-bromo-4-isocyanopyridine;tert-butyl N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;N'-hydroxy-2-(1-methylcyclopropyl)pyridine-4-carboximidamide;4-isocyano-2-(1-methylcyclopropyl)pyridine;4-isocyano-2-prop-1-en-2-ylpyridine;(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;1-methyl-N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydrochloride (CID 167532459) is 2-bromo-4-isocyanopyridine;tert-butyl N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;N'-hydroxy-2-(1-methylcyclopropyl)pyridine-4-carboximidamide;4-isocyano-2-(1-methylcyclopropyl)pyridine;4-isocyano-2-prop-1-en-2-ylpyridine;(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;1-methyl-N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydrochloride.
What is the SMILES notation for 2-bromo-4-isocyanopyridine;tert-butyl N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;N'-hydroxy-2-(1-methylcyclopropyl)pyridine-4-carboximidamide;4-isocyano-2-(1-methylcyclopropyl)pyridine;4-isocyano-2-prop-1-en-2-ylpyridine;(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;1-methyl-N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydrochloride?
The canonical SMILES for 2-bromo-4-isocyanopyridine;tert-butyl N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;N'-hydroxy-2-(1-methylcyclopropyl)pyridine-4-carboximidamide;4-isocyano-2-(1-methylcyclopropyl)pyridine;4-isocyano-2-prop-1-en-2-ylpyridine;(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;1-methyl-N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydrochloride is C=C(C)B1OC(C)(C)C(C)(C)O1.CC1(c2cc(C(N)=NO)ccn2)CC1.C[C@H](N)c1nc(-c2ccnc(C3(C)CC3)c2)no1.C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccnc(C3(C)CC3)c2)no1.C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(C3(C)CC3)c2)no1.Cl.Cn1nc(C(F)(F)F)cc1C(=O)O.[C-]#[N+]c1ccnc(Br)c1.[C-]#[N+]c1ccnc(C(=C)C)c1.[C-]#[N+]c1ccnc(C2(C)CC2)c1.
What is the InChIKey of 2-bromo-4-isocyanopyridine;tert-butyl N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;N'-hydroxy-2-(1-methylcyclopropyl)pyridine-4-carboximidamide;4-isocyano-2-(1-methylcyclopropyl)pyridine;4-isocyano-2-prop-1-en-2-ylpyridine;(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;1-methyl-N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydrochloride?
The InChIKey is UCVXVAMCGVJQQT-DVUJEOSQSA-N. The full InChI is InChI=1S/C19H19F3N6O2.C18H24N4O3.C13H16N4O.C10H13N3O.C10H10N2.C9H17BO2.C9H8N2.C6H3BrN2.C6H5F3N2O2.ClH/c1-10(24-16(29)12-9-14(19(20,21)22)26-28(12)3)17-25-15(27-30-17)11-4-7-23-13(8-11)18(2)5-6-18;1-11(20-16(23)24-17(2,3)4)15-21-14(22-25-15)12-6-9-19-13(10-12)18(5)7-8-18;1-8(14)12-16-11(17-18-12)9-3-6-15-10(7-9)13(2)4-5-13;1-10(3-4-10)8-6-7(2-5-12-8)9(11)13-14;1-10(4-5-10)9-7-8(11-2)3-6-12-9;1-7(2)10-11-8(3,4)9(5,6)12-10;1-7(2)9-6-8(10-3)4-5-11-9;1-8-5-2-3-9-6(7)4-5;1-11-3(5(12)13)2-4(10-11)6(7,8)9;/h4,7-10H,5-6H2,1-3H3,(H,24,29);6,9-11H,7-8H2,1-5H3,(H,20,23);3,6-8H,4-5,14H2,1-2H3;2,5-6,14H,3-4H2,1H3,(H2,11,13);3,6-7H,4-5H2,1H3;1H2,2-6H3;4-6H,1H2,2H3;2-4H;2H,1H3,(H,12,13);1H/t10-;11-;8-;;;;;;;/m000......./s1.
What are the key properties of 2-bromo-4-isocyanopyridine;tert-butyl N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;N'-hydroxy-2-(1-methylcyclopropyl)pyridine-4-carboximidamide;4-isocyano-2-(1-methylcyclopropyl)pyridine;4-isocyano-2-prop-1-en-2-ylpyridine;(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;1-methyl-N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydrochloride?
2-bromo-4-isocyanopyridine;tert-butyl N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;N'-hydroxy-2-(1-methylcyclopropyl)pyridine-4-carboximidamide;4-isocyano-2-(1-methylcyclopropyl)pyridine;4-isocyano-2-prop-1-en-2-ylpyridine;(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;1-methyl-N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydrochloride has a molecular weight of 2084.35 g/mol, XLogP of 22.12, 18 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-isocyanopyridine;tert-butyl N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;N'-hydroxy-2-(1-methylcyclopropyl)pyridine-4-carboximidamide;4-isocyano-2-(1-methylcyclopropyl)pyridine;4-isocyano-2-prop-1-en-2-ylpyridine;(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;1-methyl-N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydrochloride is sourced from PubChem (CID 167532459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).