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

C75H77BrI6N11O4- — CID 158384385

IUPAC2-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
SMILESBrc1cc(-c2ccccc2)ccn1.CCOC(=O)CCCCCCN(c1cncc(-c2ccccc2)c1)c1ccccn1.I.II.I[I-]I.O=C(CCCCCCN(c1cncc(-c2ccccc2)c1)c1ccccn1)NO.c1ccc(-c2ccnc(Nc3ccccn3)c2)cc1
InChIInChI=1S/C25H29N3O2.C23H26N4O2.C16H13N3.C11H8BrN.I3.I2.HI/c1-2-30-25(29)15-8-3-4-11-17-28(24-14-9-10-16-27-24)23-18-22(19-26-20-23)21-12-6-5-7-13-21;28-23(26-29)13-6-1-2-9-15-27(22-12-7-8-14-25-22)21-16-20(17-24-18-21)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,2-4,8,11,15,17H2,1H3;3-5,7-8,10-12,14,16-18,29H,1-2,6,9,13,15H2,(H,26,28);1-12H,(H,17,18,19);1-8H;;;1H/q;;;;-1;;
InChIKeyWWBMRJHFALMEIB-UHFFFAOYSA-N
MW2037.84 g/mol
LogP19.10
Rot. Bonds25

About 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

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 (PubChem CID 158384385) has the molecular formula C75H77BrI6N11O4- and a molecular weight of 2037.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158384385
Molecular FormulaC75H77BrI6N11O4-
Molecular Weight2037.84 g/mol
Exact Mass2035.96
IUPAC Name2-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
SMILESBrc1cc(-c2ccccc2)ccn1.CCOC(=O)CCCCCCN(c1cncc(-c2ccccc2)c1)c1ccccn1.I.II.I[I-]I.O=C(CCCCCCN(c1cncc(-c2ccccc2)c1)c1ccccn1)NO.c1ccc(-c2ccnc(Nc3ccccn3)c2)cc1
InChIInChI=1S/C25H29N3O2.C23H26N4O2.C16H13N3.C11H8BrN.I3.I2.HI/c1-2-30-25(29)15-8-3-4-11-17-28(24-14-9-10-16-27-24)23-18-22(19-26-20-23)21-12-6-5-7-13-21;28-23(26-29)13-6-1-2-9-15-27(22-12-7-8-14-25-22)21-16-20(17-24-18-21)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,2-4,8,11,15,17H2,1H3;3-5,7-8,10-12,14,16-18,29H,1-2,6,9,13,15H2,(H,26,28);1-12H,(H,17,18,19);1-8H;;;1H/q;;;;-1;;
InChIKeyWWBMRJHFALMEIB-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-[(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 with MolForge

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Related Compounds

(7-ethoxy-7-oxoheptyl)bromanuidyl-triphenylphosphanium;(E)-(7-ethoxy-7-oxoheptylidene)-pyridin-2-yl-pyridin-3-ylazanium;ethyl 7-bromoheptanoate;(E)-[7-(hydroxyamino)-7-oxoheptylidene]-pyridin-2-yl-pyridin-3-ylazanium;molecular iodine;triiodide;hydroiodide
CID 157093500
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
2-bromopyridine;N-hydroxy-4-[[pyrazin-2-yl(pyridin-2-yl)amino]methyl]benzamide;methane;methyl 4-[[pyrazin-2-yl(pyridin-2-yl)amino]methyl]benzoate;pyrazin-2-amine;N-pyridin-2-ylpyrazin-2-amine
CID 157831866
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-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;6-morpholin-4-ylpyridin-3-amine
CID 158688444
sodium;6-bromopyridine-3-carbonitrile;(3R)-3-[3-[(5-cyano-2-pyridinyl)amino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]butanoic acid;ethyl (3R)-3-[3-amino-4-[cyclohexyl(2-methylpropyl)amino]phenyl]butanoate;ethyl (3R)-3-[3-[(5-cyano-2-pyridinyl)amino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]butanoate;hydroxide
CID 158920853
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
5-Bromo-2-nitropyridine;ethyl 1-(6-amino-3-pyridinyl)piperidine-4-carboxylate;ethyl 1-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]piperidine-4-carboxylate;ethyl 1-(6-nitro-3-pyridinyl)piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;2-(3-methylphenyl)acetic acid
CID 159168131
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
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
4-(6-amino-3-pyridinyl)piperazin-2-one;5-bromo-2-nitropyridine;2,5-dihydro-1H-pyrazin-4-ium-6-one;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide;4-(6-nitro-3-pyridinyl)piperazin-2-one
CID 159592421

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1cc(-c2ccccc2)ccn1.CCOC(=O)CCCCCCN(c1cncc(-c2ccccc2)c1)c1ccccn1.I.II.I[I-]I.O=C(CCCCCCN(c1cncc(-c2ccccc2)c1)c1ccccn1)NO.c1ccc(-c2ccnc(Nc3ccccn3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is WWBMRJHFALMEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2.C23H26N4O2.C16H13N3.C11H8BrN.I3.I2.HI/c1-2-30-25(29)15-8-3-4-11-17-28(24-14-9-10-16-27-24)23-18-22(19-26-20-23)21-12-6-5-7-13-21;28-23(26-29)13-6-1-2-9-15-27(22-12-7-8-14-25-22)21-16-20(17-24-18-21)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,2-4,8,11,15,17H2,1H3;3-5,7-8,10-12,14,16-18,29H,1-2,6,9,13,15H2,(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-[(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?
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 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-[(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 is sourced from PubChem (CID 158384385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).