2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine

C50H66BrF4N17O8 — CID 158284635

IUPAC2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine
SMILESC.C.CCOC(=O)CCCCCCN(c1ccc(F)cn1)c1nc(C)no1.Cc1noc(N(CCCCCCC(=O)NO)c2ccc(F)cn2)n1.Cc1noc(N)n1.Cc1noc(Nc2ccc(F)cn2)n1.Fc1ccc(Br)nc1
InChIInChI=1S/C17H23FN4O3.C15H20FN5O3.C8H7FN4O.C5H3BrFN.C3H5N3O.2CH4/c1-3-24-16(23)8-6-4-5-7-11-22(17-20-13(2)21-25-17)15-10-9-14(18)12-19-15;1-11-18-15(24-20-11)21(13-8-7-12(16)10-17-13)9-5-3-2-4-6-14(22)19-23;1-5-11-8(14-13-5)12-7-3-2-6(9)4-10-7;6-5-2-1-4(7)3-8-5;1-2-5-3(4)7-6-2;;/h9-10,12H,3-8,11H2,1-2H3;7-8,10,23H,2-6,9H2,1H3,(H,19,22);2-4H,1H3,(H,10,11,12,13);1-3H;1H3,(H2,4,5,6);2*1H4
InChIKeyGKPZJOAXUACRCH-UHFFFAOYSA-N
MW1189.08 g/mol
LogP10.94
Rot. Bonds21

About 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine

2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 158284635) has the molecular formula C50H66BrF4N17O8 and a molecular weight of 1189.08 g/mol. Its IUPAC name is 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine
PubChem CID158284635
Molecular FormulaC50H66BrF4N17O8
Molecular Weight1189.08 g/mol
Exact Mass1187.44
IUPAC Name2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine
SMILESC.C.CCOC(=O)CCCCCCN(c1ccc(F)cn1)c1nc(C)no1.Cc1noc(N(CCCCCCC(=O)NO)c2ccc(F)cn2)n1.Cc1noc(N)n1.Cc1noc(Nc2ccc(F)cn2)n1.Fc1ccc(Br)nc1
InChIInChI=1S/C17H23FN4O3.C15H20FN5O3.C8H7FN4O.C5H3BrFN.C3H5N3O.2CH4/c1-3-24-16(23)8-6-4-5-7-11-22(17-20-13(2)21-25-17)15-10-9-14(18)12-19-15;1-11-18-15(24-20-11)21(13-8-7-12(16)10-17-13)9-5-3-2-4-6-14(22)19-23;1-5-11-8(14-13-5)12-7-3-2-6(9)4-10-7;6-5-2-1-4(7)3-8-5;1-2-5-3(4)7-6-2;;/h9-10,12H,3-8,11H2,1-2H3;7-8,10,23H,2-6,9H2,1H3,(H,19,22);2-4H,1H3,(H,10,11,12,13);1-3H;1H3,(H2,4,5,6);2*1H4
InChIKeyGKPZJOAXUACRCH-UHFFFAOYSA-N
XLogP10.94
TPSA327.40 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001189.08
LogP ≤ 510.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine with MolForge

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Related Compounds

2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxyheptanamide;1-methylbenzimidazol-2-amine;sulfane
CID 158198252
1,3-benzothiazol-2-amine;7-[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]-N-hydroxyheptanamide;2-bromopyridine;ethyl 7-[1,3-benzothiazol-2-yl(pyridin-2-yl)amino]heptanoate;molecular iodine;N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 159882720
ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]heptanoate
CID 90133993
4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]-N-hydroxybenzamide
CID 86282455
ethyl 7-[[5-(4-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate
CID 58545049
2-bromo-4-phenylpyridine;ethyl 7-[(5-phenyl-3-pyridinyl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(5-phenyl-3-pyridinyl)-pyridin-2-ylamino]heptanamide;molecular iodine;4-phenyl-N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide
CID 158384385
7-[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]-N-hydroxyheptanamide
CID 144623233
ethyl 7-[di(pyrazin-2-yl)amino]heptanoate
CID 121304888
ethyl 3-[(6-bromopyridine-3-carbonyl)-methylamino]propanoate
CID 66462957
ethyl 7-[ethyl-(4-fluorobenzoyl)amino]heptanoate
CID 163254624
ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate
CID 112583174
ethyl 7-[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-3-ylamino]heptanoate
CID 90134033

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine (CID 158284635) is 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine is C.C.CCOC(=O)CCCCCCN(c1ccc(F)cn1)c1nc(C)no1.Cc1noc(N(CCCCCCC(=O)NO)c2ccc(F)cn2)n1.Cc1noc(N)n1.Cc1noc(Nc2ccc(F)cn2)n1.Fc1ccc(Br)nc1.
What is the InChIKey of 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is GKPZJOAXUACRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3.C15H20FN5O3.C8H7FN4O.C5H3BrFN.C3H5N3O.2CH4/c1-3-24-16(23)8-6-4-5-7-11-22(17-20-13(2)21-25-17)15-10-9-14(18)12-19-15;1-11-18-15(24-20-11)21(13-8-7-12(16)10-17-13)9-5-3-2-4-6-14(22)19-23;1-5-11-8(14-13-5)12-7-3-2-6(9)4-10-7;6-5-2-1-4(7)3-8-5;1-2-5-3(4)7-6-2;;/h9-10,12H,3-8,11H2,1-2H3;7-8,10,23H,2-6,9H2,1H3,(H,19,22);2-4H,1H3,(H,10,11,12,13);1-3H;1H3,(H2,4,5,6);2*1H4.
What are the key properties of 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine?
2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 1189.08 g/mol, XLogP of 10.94, 21 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 158284635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).