2-bromopyridine;ethyl 7-[pyridin-2-yl(pyridin-3-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(pyridin-3-yl)amino]heptanamide;molecular iodine;N-pyridin-3-ylpyridin-2-amine;triiodide;hydroiodide

C51H61BrI6N11O4- — CID 161023020

IUPAC2-bromopyridine;ethyl 7-[pyridin-2-yl(pyridin-3-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(pyridin-3-yl)amino]heptanamide;molecular iodine;N-pyridin-3-ylpyridin-2-amine;triiodide;hydroiodide
SMILESBrc1ccccn1.CCOC(=O)CCCCCCN(c1cccnc1)c1ccccn1.I.II.I[I-]I.O=C(CCCCCCN(c1cccnc1)c1ccccn1)NO.c1ccc(Nc2cccnc2)nc1
InChIInChI=1S/C19H25N3O2.C17H22N4O2.C10H9N3.C5H4BrN.I3.I2.HI/c1-2-24-19(23)12-5-3-4-8-15-22(17-10-9-13-20-16-17)18-11-6-7-14-21-18;22-17(20-23)10-3-1-2-6-13-21(15-8-7-11-18-14-15)16-9-4-5-12-19-16;1-2-7-12-10(5-1)13-9-4-3-6-11-8-9;6-5-3-1-2-4-7-5;1-3-2;1-2;/h6-7,9-11,13-14,16H,2-5,8,12,15H2,1H3;4-5,7-9,11-12,14,23H,1-3,6,10,13H2,(H,20,22);1-8H,(H,12,13);1-4H;;;1H/q;;;;-1;;
InChIKeyHDQZFAVDWVVOJK-UHFFFAOYSA-N
MW1733.45 g/mol
LogP12.43
Rot. Bonds21

About 2-bromopyridine;ethyl 7-[pyridin-2-yl(pyridin-3-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(pyridin-3-yl)amino]heptanamide;molecular iodine;N-pyridin-3-ylpyridin-2-amine;triiodide;hydroiodide

2-bromopyridine;ethyl 7-[pyridin-2-yl(pyridin-3-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(pyridin-3-yl)amino]heptanamide;molecular iodine;N-pyridin-3-ylpyridin-2-amine;triiodide;hydroiodide (PubChem CID 161023020) has the molecular formula C51H61BrI6N11O4- and a molecular weight of 1733.45 g/mol. Its IUPAC name is 2-bromopyridine;ethyl 7-[pyridin-2-yl(pyridin-3-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(pyridin-3-yl)amino]heptanamide;molecular iodine;N-pyridin-3-ylpyridin-2-amine;triiodide;hydroiodide.

Molecular Properties

Compound Name2-bromopyridine;ethyl 7-[pyridin-2-yl(pyridin-3-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(pyridin-3-yl)amino]heptanamide;molecular iodine;N-pyridin-3-ylpyridin-2-amine;triiodide;hydroiodide
PubChem CID161023020
Molecular FormulaC51H61BrI6N11O4-
Molecular Weight1733.45 g/mol
Exact Mass1731.84
IUPAC Name2-bromopyridine;ethyl 7-[pyridin-2-yl(pyridin-3-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(pyridin-3-yl)amino]heptanamide;molecular iodine;N-pyridin-3-ylpyridin-2-amine;triiodide;hydroiodide
SMILESBrc1ccccn1.CCOC(=O)CCCCCCN(c1cccnc1)c1ccccn1.I.II.I[I-]I.O=C(CCCCCCN(c1cccnc1)c1ccccn1)NO.c1ccc(Nc2cccnc2)nc1
InChIInChI=1S/C19H25N3O2.C17H22N4O2.C10H9N3.C5H4BrN.I3.I2.HI/c1-2-24-19(23)12-5-3-4-8-15-22(17-10-9-13-20-16-17)18-11-6-7-14-21-18;22-17(20-23)10-3-1-2-6-13-21(15-8-7-11-18-14-15)16-9-4-5-12-19-16;1-2-7-12-10(5-1)13-9-4-3-6-11-8-9;6-5-3-1-2-4-7-5;1-3-2;1-2;/h6-7,9-11,13-14,16H,2-5,8,12,15H2,1H3;4-5,7-9,11-12,14,23H,1-3,6,10,13H2,(H,20,22);1-8H,(H,12,13);1-4H;;;1H/q;;;;-1;;
InChIKeyHDQZFAVDWVVOJK-UHFFFAOYSA-N
XLogP12.43
TPSA184.37 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001733.45
LogP ≤ 512.43
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-bromopyridine;ethyl 7-[pyridin-2-yl(pyridin-3-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(pyridin-3-yl)amino]heptanamide;molecular iodine;N-pyridin-3-ylpyridin-2-amine;triiodide;hydroiodide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromopyridine;ethyl 7-[pyridin-2-yl(pyridin-3-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(pyridin-3-yl)amino]heptanamide;molecular iodine;N-pyridin-3-ylpyridin-2-amine;triiodide;hydroiodide?
The IUPAC name of 2-bromopyridine;ethyl 7-[pyridin-2-yl(pyridin-3-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(pyridin-3-yl)amino]heptanamide;molecular iodine;N-pyridin-3-ylpyridin-2-amine;triiodide;hydroiodide (CID 161023020) is 2-bromopyridine;ethyl 7-[pyridin-2-yl(pyridin-3-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(pyridin-3-yl)amino]heptanamide;molecular iodine;N-pyridin-3-ylpyridin-2-amine;triiodide;hydroiodide.
What is the SMILES notation for 2-bromopyridine;ethyl 7-[pyridin-2-yl(pyridin-3-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(pyridin-3-yl)amino]heptanamide;molecular iodine;N-pyridin-3-ylpyridin-2-amine;triiodide;hydroiodide?
The canonical SMILES for 2-bromopyridine;ethyl 7-[pyridin-2-yl(pyridin-3-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(pyridin-3-yl)amino]heptanamide;molecular iodine;N-pyridin-3-ylpyridin-2-amine;triiodide;hydroiodide is Brc1ccccn1.CCOC(=O)CCCCCCN(c1cccnc1)c1ccccn1.I.II.I[I-]I.O=C(CCCCCCN(c1cccnc1)c1ccccn1)NO.c1ccc(Nc2cccnc2)nc1.
What is the InChIKey of 2-bromopyridine;ethyl 7-[pyridin-2-yl(pyridin-3-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(pyridin-3-yl)amino]heptanamide;molecular iodine;N-pyridin-3-ylpyridin-2-amine;triiodide;hydroiodide?
The InChIKey is HDQZFAVDWVVOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.C17H22N4O2.C10H9N3.C5H4BrN.I3.I2.HI/c1-2-24-19(23)12-5-3-4-8-15-22(17-10-9-13-20-16-17)18-11-6-7-14-21-18;22-17(20-23)10-3-1-2-6-13-21(15-8-7-11-18-14-15)16-9-4-5-12-19-16;1-2-7-12-10(5-1)13-9-4-3-6-11-8-9;6-5-3-1-2-4-7-5;1-3-2;1-2;/h6-7,9-11,13-14,16H,2-5,8,12,15H2,1H3;4-5,7-9,11-12,14,23H,1-3,6,10,13H2,(H,20,22);1-8H,(H,12,13);1-4H;;;1H/q;;;;-1;;.
What are the key properties of 2-bromopyridine;ethyl 7-[pyridin-2-yl(pyridin-3-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(pyridin-3-yl)amino]heptanamide;molecular iodine;N-pyridin-3-ylpyridin-2-amine;triiodide;hydroiodide?
2-bromopyridine;ethyl 7-[pyridin-2-yl(pyridin-3-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(pyridin-3-yl)amino]heptanamide;molecular iodine;N-pyridin-3-ylpyridin-2-amine;triiodide;hydroiodide has a molecular weight of 1733.45 g/mol, XLogP of 12.43, 21 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopyridine;ethyl 7-[pyridin-2-yl(pyridin-3-yl)amino]heptanoate;N-hydroxy-7-[pyridin-2-yl(pyridin-3-yl)amino]heptanamide;molecular iodine;N-pyridin-3-ylpyridin-2-amine;triiodide;hydroiodide is sourced from PubChem (CID 161023020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).