2-bromo-4-phenylpyridine;ethyl 7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanamide;molecular iodine;4-phenyl-N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide

C75H77BrI6N11O4- — CID 159318280

IUPAC2-bromo-4-phenylpyridine;ethyl 7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanamide;molecular iodine;4-phenyl-N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide
SMILESBrc1cc(-c2ccccc2)ccn1.CCOC(=O)CCCCCCN(c1ccccn1)c1cc(-c2ccccc2)ccn1.I.II.I[I-]I.O=C(CCCCCCN(c1ccccn1)c1cc(-c2ccccc2)ccn1)NO.c1ccc(-c2ccnc(Nc3ccccn3)c2)cc1
InChIInChI=1S/C25H29N3O2.C23H26N4O2.C16H13N3.C11H8BrN.I3.I2.HI/c1-2-30-25(29)15-8-3-4-11-19-28(23-14-9-10-17-26-23)24-20-22(16-18-27-24)21-12-6-5-7-13-21;28-23(26-29)13-6-1-2-9-17-27(21-12-7-8-15-24-21)22-18-20(14-16-25-22)19-10-4-3-5-11-19;1-2-6-13(7-3-1)14-9-11-18-16(12-14)19-15-8-4-5-10-17-15;12-11-8-10(6-7-13-11)9-4-2-1-3-5-9;1-3-2;1-2;/h5-7,9-10,12-14,16-18,20H,2-4,8,11,15,19H2,1H3;3-5,7-8,10-12,14-16,18,29H,1-2,6,9,13,17H2,(H,26,28);1-12H,(H,17,18,19);1-8H;;;1H/q;;;;-1;;
InChIKeyDZHVWLBZYFBFCD-UHFFFAOYSA-N
MW2037.84 g/mol
LogP19.10
Rot. Bonds25

About 2-bromo-4-phenylpyridine;ethyl 7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanamide;molecular iodine;4-phenyl-N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide

2-bromo-4-phenylpyridine;ethyl 7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanamide;molecular iodine;4-phenyl-N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide (PubChem CID 159318280) has the molecular formula C75H77BrI6N11O4- and a molecular weight of 2037.84 g/mol. Its IUPAC name is 2-bromo-4-phenylpyridine;ethyl 7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanamide;molecular iodine;4-phenyl-N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide.

Molecular Properties

Compound Name2-bromo-4-phenylpyridine;ethyl 7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanamide;molecular iodine;4-phenyl-N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide
PubChem CID159318280
Molecular FormulaC75H77BrI6N11O4-
Molecular Weight2037.84 g/mol
Exact Mass2035.96
IUPAC Name2-bromo-4-phenylpyridine;ethyl 7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanamide;molecular iodine;4-phenyl-N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide
SMILESBrc1cc(-c2ccccc2)ccn1.CCOC(=O)CCCCCCN(c1ccccn1)c1cc(-c2ccccc2)ccn1.I.II.I[I-]I.O=C(CCCCCCN(c1ccccn1)c1cc(-c2ccccc2)ccn1)NO.c1ccc(-c2ccnc(Nc3ccccn3)c2)cc1
InChIInChI=1S/C25H29N3O2.C23H26N4O2.C16H13N3.C11H8BrN.I3.I2.HI/c1-2-30-25(29)15-8-3-4-11-19-28(23-14-9-10-17-26-23)24-20-22(16-18-27-24)21-12-6-5-7-13-21;28-23(26-29)13-6-1-2-9-17-27(21-12-7-8-15-24-21)22-18-20(14-16-25-22)19-10-4-3-5-11-19;1-2-6-13(7-3-1)14-9-11-18-16(12-14)19-15-8-4-5-10-17-15;12-11-8-10(6-7-13-11)9-4-2-1-3-5-9;1-3-2;1-2;/h5-7,9-10,12-14,16-18,20H,2-4,8,11,15,19H2,1H3;3-5,7-8,10-12,14-16,18,29H,1-2,6,9,13,17H2,(H,26,28);1-12H,(H,17,18,19);1-8H;;;1H/q;;;;-1;;
InChIKeyDZHVWLBZYFBFCD-UHFFFAOYSA-N
XLogP19.10
TPSA184.37 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002037.84
LogP ≤ 519.10
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-4-phenylpyridine;ethyl 7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanamide;molecular iodine;4-phenyl-N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide with MolForge

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Related Compounds

7-[[4-(2-chlorophenyl)-2-pyridinyl]-pyridin-2-ylamino]-N-hydroxyheptanamide;ethyl 7-[[4-(2-chlorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate;ethyl 7-[(4-methyl-2-pyridinyl)-pyridin-2-ylamino]heptanoate;molecular iodine;triiodide;hydroiodide
CID 157554474
N-hydroxy-2-phenyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]acetamide;methyl 2-(4-bromophenyl)-2-phenylacetate;methyl 2-phenyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]acetate;2-piperazin-1-ylpyrimidine
CID 157921149
2-bromo-5-methylpyridine;ethyl 7-[(5-methyl-2-pyridinyl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(5-methyl-2-pyridinyl)-pyridin-2-ylamino]heptanamide;5-methyl-N-pyridin-2-ylpyridin-2-amine;molecular iodine;triiodide;hydroiodide
CID 158280245
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
ethyl 7-[isoquinolin-3-yl(pyridin-2-yl)amino]heptanoate;N-hydroxy-7-[isoquinolin-3-yl(pyridin-2-yl)amino]heptanamide;isoquinolin-3-amine;molecular iodine;N-pyridin-2-ylisoquinolin-3-amine;triiodide;hydroiodide
CID 158938029
ethyl 7-[isoquinolin-3-yl(pyridin-3-yl)amino]heptanoate;N-hydroxy-7-[isoquinolin-3-yl(pyridin-3-yl)amino]heptanamide;isoquinolin-3-amine;molecular iodine;N-pyridin-2-ylisoquinolin-3-amine;triiodide;hydroiodide
CID 159265975
7-(dipyridin-2-ylamino)-N-hydroxyheptanamide;ethyl 7-bromoheptanoate;ethyl 7-(dipyridin-2-ylamino)heptanoate;molecular iodine;N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide
CID 159612275
ethyl 7-[[4-(2-methylphenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate;ethyl 7-[(4-methyl-2-pyridinyl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[[4-(2-methylphenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanamide;molecular iodine;triiodide;hydroiodide
CID 159791720
ethyl 7-[[4-(2-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate;ethyl 7-[(4-methyl-2-pyridinyl)-pyridin-2-ylamino]heptanoate;7-[[4-(2-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]-N-hydroxyheptanamide;molecular iodine;triiodide;hydroiodide
CID 160210009
2-bromopyridine;7-(dipyridin-2-ylamino)-N-hydroxyheptanamide;ethyl 7-(dipyridin-2-ylamino)heptanoate;molecular iodine;N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide
CID 160330639
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
2-bromo-4-methylpyridine;ethyl 7-[(4-methyl-2-pyridinyl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(4-methyl-2-pyridinyl)-pyridin-2-ylamino]heptanamide;4-methyl-N-pyridin-2-ylpyridin-2-amine;molecular iodine;triiodide;hydroiodide
CID 161141353

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-phenylpyridine;ethyl 7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanamide;molecular iodine;4-phenyl-N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide?
The IUPAC name of 2-bromo-4-phenylpyridine;ethyl 7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanamide;molecular iodine;4-phenyl-N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide (CID 159318280) is 2-bromo-4-phenylpyridine;ethyl 7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanamide;molecular iodine;4-phenyl-N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide.
What is the SMILES notation for 2-bromo-4-phenylpyridine;ethyl 7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanamide;molecular iodine;4-phenyl-N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide?
The canonical SMILES for 2-bromo-4-phenylpyridine;ethyl 7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanamide;molecular iodine;4-phenyl-N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide is Brc1cc(-c2ccccc2)ccn1.CCOC(=O)CCCCCCN(c1ccccn1)c1cc(-c2ccccc2)ccn1.I.II.I[I-]I.O=C(CCCCCCN(c1ccccn1)c1cc(-c2ccccc2)ccn1)NO.c1ccc(-c2ccnc(Nc3ccccn3)c2)cc1.
What is the InChIKey of 2-bromo-4-phenylpyridine;ethyl 7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanamide;molecular iodine;4-phenyl-N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide?
The InChIKey is DZHVWLBZYFBFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2.C23H26N4O2.C16H13N3.C11H8BrN.I3.I2.HI/c1-2-30-25(29)15-8-3-4-11-19-28(23-14-9-10-17-26-23)24-20-22(16-18-27-24)21-12-6-5-7-13-21;28-23(26-29)13-6-1-2-9-17-27(21-12-7-8-15-24-21)22-18-20(14-16-25-22)19-10-4-3-5-11-19;1-2-6-13(7-3-1)14-9-11-18-16(12-14)19-15-8-4-5-10-17-15;12-11-8-10(6-7-13-11)9-4-2-1-3-5-9;1-3-2;1-2;/h5-7,9-10,12-14,16-18,20H,2-4,8,11,15,19H2,1H3;3-5,7-8,10-12,14-16,18,29H,1-2,6,9,13,17H2,(H,26,28);1-12H,(H,17,18,19);1-8H;;;1H/q;;;;-1;;.
What are the key properties of 2-bromo-4-phenylpyridine;ethyl 7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanamide;molecular iodine;4-phenyl-N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide?
2-bromo-4-phenylpyridine;ethyl 7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanamide;molecular iodine;4-phenyl-N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide has a molecular weight of 2037.84 g/mol, XLogP of 19.10, 25 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-phenylpyridine;ethyl 7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(4-phenyl-2-pyridinyl)-pyridin-2-ylamino]heptanamide;molecular iodine;4-phenyl-N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide is sourced from PubChem (CID 159318280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).