2-bromo-5-methylpyridine;ethyl 7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanamide;5-methyl-N-pyridin-2-ylpyridin-2-amine;molecular iodine;triiodide;hydroiodide

C55H69BrI6N11O4- — CID 162197554

IUPAC2-bromo-5-methylpyridine;ethyl 7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanamide;5-methyl-N-pyridin-2-ylpyridin-2-amine;molecular iodine;triiodide;hydroiodide
SMILESCCOC(=O)CCCCCCN(c1cccnc1)c1ccc(C)cn1.Cc1ccc(Br)nc1.Cc1ccc(N(CCCCCCC(=O)NO)c2cccnc2)nc1.Cc1ccc(Nc2ccccn2)nc1.I.II.I[I-]I
InChIInChI=1S/C20H27N3O2.C18H24N4O2.C11H11N3.C6H6BrN.I3.I2.HI/c1-3-25-20(24)10-6-4-5-7-14-23(18-9-8-13-21-16-18)19-12-11-17(2)15-22-19;1-15-9-10-17(20-13-15)22(16-7-6-11-19-14-16)12-5-3-2-4-8-18(23)21-24;1-9-5-6-11(13-8-9)14-10-4-2-3-7-12-10;1-5-2-3-6(7)8-4-5;1-3-2;1-2;/h8-9,11-13,15-16H,3-7,10,14H2,1-2H3;6-7,9-11,13-14,24H,2-5,8,12H2,1H3,(H,21,23);2-8H,1H3,(H,12,13,14);2-4H,1H3;;;1H/q;;;;-1;;
InChIKeyXTWZPXZDJAXEPC-UHFFFAOYSA-N
MW1789.56 g/mol
LogP13.66
Rot. Bonds21

About 2-bromo-5-methylpyridine;ethyl 7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanamide;5-methyl-N-pyridin-2-ylpyridin-2-amine;molecular iodine;triiodide;hydroiodide

2-bromo-5-methylpyridine;ethyl 7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanamide;5-methyl-N-pyridin-2-ylpyridin-2-amine;molecular iodine;triiodide;hydroiodide (PubChem CID 162197554) has the molecular formula C55H69BrI6N11O4- and a molecular weight of 1789.56 g/mol. Its IUPAC name is 2-bromo-5-methylpyridine;ethyl 7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanamide;5-methyl-N-pyridin-2-ylpyridin-2-amine;molecular iodine;triiodide;hydroiodide.

Molecular Properties

Compound Name2-bromo-5-methylpyridine;ethyl 7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanamide;5-methyl-N-pyridin-2-ylpyridin-2-amine;molecular iodine;triiodide;hydroiodide
PubChem CID162197554
Molecular FormulaC55H69BrI6N11O4-
Molecular Weight1789.56 g/mol
Exact Mass1787.90
IUPAC Name2-bromo-5-methylpyridine;ethyl 7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanamide;5-methyl-N-pyridin-2-ylpyridin-2-amine;molecular iodine;triiodide;hydroiodide
SMILESCCOC(=O)CCCCCCN(c1cccnc1)c1ccc(C)cn1.Cc1ccc(Br)nc1.Cc1ccc(N(CCCCCCC(=O)NO)c2cccnc2)nc1.Cc1ccc(Nc2ccccn2)nc1.I.II.I[I-]I
InChIInChI=1S/C20H27N3O2.C18H24N4O2.C11H11N3.C6H6BrN.I3.I2.HI/c1-3-25-20(24)10-6-4-5-7-14-23(18-9-8-13-21-16-18)19-12-11-17(2)15-22-19;1-15-9-10-17(20-13-15)22(16-7-6-11-19-14-16)12-5-3-2-4-8-18(23)21-24;1-9-5-6-11(13-8-9)14-10-4-2-3-7-12-10;1-5-2-3-6(7)8-4-5;1-3-2;1-2;/h8-9,11-13,15-16H,3-7,10,14H2,1-2H3;6-7,9-11,13-14,24H,2-5,8,12H2,1H3,(H,21,23);2-8H,1H3,(H,12,13,14);2-4H,1H3;;;1H/q;;;;-1;;
InChIKeyXTWZPXZDJAXEPC-UHFFFAOYSA-N
XLogP13.66
TPSA184.37 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001789.56
LogP ≤ 513.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-bromo-5-methylpyridine;ethyl 7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanamide;5-methyl-N-pyridin-2-ylpyridin-2-amine;molecular iodine;triiodide;hydroiodide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methylpyridine;ethyl 7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanamide;5-methyl-N-pyridin-2-ylpyridin-2-amine;molecular iodine;triiodide;hydroiodide?
The IUPAC name of 2-bromo-5-methylpyridine;ethyl 7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanamide;5-methyl-N-pyridin-2-ylpyridin-2-amine;molecular iodine;triiodide;hydroiodide (CID 162197554) is 2-bromo-5-methylpyridine;ethyl 7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanamide;5-methyl-N-pyridin-2-ylpyridin-2-amine;molecular iodine;triiodide;hydroiodide.
What is the SMILES notation for 2-bromo-5-methylpyridine;ethyl 7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanamide;5-methyl-N-pyridin-2-ylpyridin-2-amine;molecular iodine;triiodide;hydroiodide?
The canonical SMILES for 2-bromo-5-methylpyridine;ethyl 7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanamide;5-methyl-N-pyridin-2-ylpyridin-2-amine;molecular iodine;triiodide;hydroiodide is CCOC(=O)CCCCCCN(c1cccnc1)c1ccc(C)cn1.Cc1ccc(Br)nc1.Cc1ccc(N(CCCCCCC(=O)NO)c2cccnc2)nc1.Cc1ccc(Nc2ccccn2)nc1.I.II.I[I-]I.
What is the InChIKey of 2-bromo-5-methylpyridine;ethyl 7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanamide;5-methyl-N-pyridin-2-ylpyridin-2-amine;molecular iodine;triiodide;hydroiodide?
The InChIKey is XTWZPXZDJAXEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2.C18H24N4O2.C11H11N3.C6H6BrN.I3.I2.HI/c1-3-25-20(24)10-6-4-5-7-14-23(18-9-8-13-21-16-18)19-12-11-17(2)15-22-19;1-15-9-10-17(20-13-15)22(16-7-6-11-19-14-16)12-5-3-2-4-8-18(23)21-24;1-9-5-6-11(13-8-9)14-10-4-2-3-7-12-10;1-5-2-3-6(7)8-4-5;1-3-2;1-2;/h8-9,11-13,15-16H,3-7,10,14H2,1-2H3;6-7,9-11,13-14,24H,2-5,8,12H2,1H3,(H,21,23);2-8H,1H3,(H,12,13,14);2-4H,1H3;;;1H/q;;;;-1;;.
What are the key properties of 2-bromo-5-methylpyridine;ethyl 7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanamide;5-methyl-N-pyridin-2-ylpyridin-2-amine;molecular iodine;triiodide;hydroiodide?
2-bromo-5-methylpyridine;ethyl 7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanamide;5-methyl-N-pyridin-2-ylpyridin-2-amine;molecular iodine;triiodide;hydroiodide has a molecular weight of 1789.56 g/mol, XLogP of 13.66, 21 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methylpyridine;ethyl 7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-2-pyridinyl)-pyridin-3-ylamino]heptanamide;5-methyl-N-pyridin-2-ylpyridin-2-amine;molecular iodine;triiodide;hydroiodide is sourced from PubChem (CID 162197554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).