dipotassium;hydride;3-[[4-hydroxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;6-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-2-(2-methoxyethyl)pyridazin-3-one;3-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;oxido formate;tribromoborane

C79H74BBr3K2N12O22 — CID 159653033

IUPACdipotassium;hydride;3-[[4-hydroxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;6-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-2-(2-methoxyethyl)pyridazin-3-one;3-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;oxido formate;tribromoborane
SMILESBrB(Br)Br.COCCOc1ccc(Cc2ccc(=O)[nH]n2)cc1-c1cccc([N+](=O)[O-])c1.COCCOc1ccc(Cc2ccc(=O)n(CCOC)n2)cc1-c1cccc([N+](=O)[O-])c1.COc1ccc(Cc2ccc(=O)[nH]n2)cc1-c1cccc([N+](=O)[O-])c1.O=CO[O-].O=c1ccc(Cc2ccc(O)c(-c3cccc([N+](=O)[O-])c3)c2)n[nH]1.[H-].[K+].[K+]
InChIInChI=1S/C23H25N3O6.C20H19N3O5.C18H15N3O4.C17H13N3O4.CH2O3.BBr3.2K.H/c1-30-11-10-25-23(27)9-7-19(24-25)14-17-6-8-22(32-13-12-31-2)21(15-17)18-4-3-5-20(16-18)26(28)29;1-27-9-10-28-19-7-5-14(11-16-6-8-20(24)22-21-16)12-18(19)15-3-2-4-17(13-15)23(25)26;1-25-17-7-5-12(9-14-6-8-18(22)20-19-14)10-16(17)13-3-2-4-15(11-13)21(23)24;21-16-6-4-11(8-13-5-7-17(22)19-18-13)9-15(16)12-2-1-3-14(10-12)20(23)24;2-1-4-3;2-1(3)4;;;/h3-9,15-16H,10-14H2,1-2H3;2-8,12-13H,9-11H2,1H3,(H,22,24);2-8,10-11H,9H2,1H3,(H,20,22);1-7,9-10,21H,8H2,(H,19,22);1,3H;;;;/q;;;;;;2*+1;-1/p-1
InChIKeyYMLHPVXCXPZAIV-UHFFFAOYSA-M
MW1872.24 g/mol
LogP6.34
Rot. Bonds29

About dipotassium;hydride;3-[[4-hydroxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;6-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-2-(2-methoxyethyl)pyridazin-3-one;3-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;oxido formate;tribromoborane

dipotassium;hydride;3-[[4-hydroxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;6-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-2-(2-methoxyethyl)pyridazin-3-one;3-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;oxido formate;tribromoborane (PubChem CID 159653033) has the molecular formula C79H74BBr3K2N12O22 and a molecular weight of 1872.24 g/mol. Its IUPAC name is dipotassium;hydride;3-[[4-hydroxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;6-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-2-(2-methoxyethyl)pyridazin-3-one;3-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;oxido formate;tribromoborane.

Molecular Properties

Compound Namedipotassium;hydride;3-[[4-hydroxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;6-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-2-(2-methoxyethyl)pyridazin-3-one;3-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;oxido formate;tribromoborane
PubChem CID159653033
Molecular FormulaC79H74BBr3K2N12O22
Molecular Weight1872.24 g/mol
Exact Mass1868.20
IUPAC Namedipotassium;hydride;3-[[4-hydroxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;6-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-2-(2-methoxyethyl)pyridazin-3-one;3-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;oxido formate;tribromoborane
SMILESBrB(Br)Br.COCCOc1ccc(Cc2ccc(=O)[nH]n2)cc1-c1cccc([N+](=O)[O-])c1.COCCOc1ccc(Cc2ccc(=O)n(CCOC)n2)cc1-c1cccc([N+](=O)[O-])c1.COc1ccc(Cc2ccc(=O)[nH]n2)cc1-c1cccc([N+](=O)[O-])c1.O=CO[O-].O=c1ccc(Cc2ccc(O)c(-c3cccc([N+](=O)[O-])c3)c2)n[nH]1.[H-].[K+].[K+]
InChIInChI=1S/C23H25N3O6.C20H19N3O5.C18H15N3O4.C17H13N3O4.CH2O3.BBr3.2K.H/c1-30-11-10-25-23(27)9-7-19(24-25)14-17-6-8-22(32-13-12-31-2)21(15-17)18-4-3-5-20(16-18)26(28)29;1-27-9-10-28-19-7-5-14(11-16-6-8-20(24)22-21-16)12-18(19)15-3-2-4-17(13-15)23(25)26;1-25-17-7-5-12(9-14-6-8-18(22)20-19-14)10-16(17)13-3-2-4-15(11-13)21(23)24;21-16-6-4-11(8-13-5-7-17(22)19-18-13)9-15(16)12-2-1-3-14(10-12)20(23)24;2-1-4-3;2-1(3)4;;;/h3-9,15-16H,10-14H2,1-2H3;2-8,12-13H,9-11H2,1H3,(H,22,24);2-8,10-11H,9H2,1H3,(H,20,22);1-7,9-10,21H,8H2,(H,19,22);1,3H;;;;/q;;;;;;2*+1;-1/p-1
InChIKeyYMLHPVXCXPZAIV-UHFFFAOYSA-M
XLogP6.34
TPSA469.67 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds29
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001872.24
LogP ≤ 56.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze dipotassium;hydride;3-[[4-hydroxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;6-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-2-(2-methoxyethyl)pyridazin-3-one;3-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;oxido formate;tribromoborane with MolForge

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Related Compounds

3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one
CID 58019968
2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenol
CID 68788738
methyl 5-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-6-oxo-1H-pyridine-2-carboxylate
CID 68786234
1-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-6-oxopyridine-3-carboxamide
CID 58020009
N-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 68790949
2-[4-methoxy-3-(3-nitrophenyl)phenyl]acetonitrile
CID 68788538
tert-butyl N-[[3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenyl]methyl]carbamate
CID 58020362
2-amino-7-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-purin-6-one
CID 135884531
4-methoxy-3-(3-nitrophenyl)benzoyl chloride
CID 118072392
3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 68789482
acetic acid;1-[(3-bromo-4-methoxyphenyl)methyl]-6-oxopyridine-3-carbonitrile;1-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-6-oxopyridine-3-carbonitrile;(3-nitrophenyl)boronic acid;palladium
CID 159625411
2-[2-(diethylamino)ethyl]-6-(3-nitrophenyl)pyridazin-3-one
CID 7665774

Frequently Asked Questions

What is the IUPAC name of dipotassium;hydride;3-[[4-hydroxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;6-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-2-(2-methoxyethyl)pyridazin-3-one;3-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;oxido formate;tribromoborane?
The IUPAC name of dipotassium;hydride;3-[[4-hydroxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;6-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-2-(2-methoxyethyl)pyridazin-3-one;3-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;oxido formate;tribromoborane (CID 159653033) is dipotassium;hydride;3-[[4-hydroxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;6-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-2-(2-methoxyethyl)pyridazin-3-one;3-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;oxido formate;tribromoborane.
What is the SMILES notation for dipotassium;hydride;3-[[4-hydroxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;6-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-2-(2-methoxyethyl)pyridazin-3-one;3-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;oxido formate;tribromoborane?
The canonical SMILES for dipotassium;hydride;3-[[4-hydroxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;6-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-2-(2-methoxyethyl)pyridazin-3-one;3-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;oxido formate;tribromoborane is BrB(Br)Br.COCCOc1ccc(Cc2ccc(=O)[nH]n2)cc1-c1cccc([N+](=O)[O-])c1.COCCOc1ccc(Cc2ccc(=O)n(CCOC)n2)cc1-c1cccc([N+](=O)[O-])c1.COc1ccc(Cc2ccc(=O)[nH]n2)cc1-c1cccc([N+](=O)[O-])c1.O=CO[O-].O=c1ccc(Cc2ccc(O)c(-c3cccc([N+](=O)[O-])c3)c2)n[nH]1.[H-].[K+].[K+].
What is the InChIKey of dipotassium;hydride;3-[[4-hydroxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;6-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-2-(2-methoxyethyl)pyridazin-3-one;3-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;oxido formate;tribromoborane?
The InChIKey is YMLHPVXCXPZAIV-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H25N3O6.C20H19N3O5.C18H15N3O4.C17H13N3O4.CH2O3.BBr3.2K.H/c1-30-11-10-25-23(27)9-7-19(24-25)14-17-6-8-22(32-13-12-31-2)21(15-17)18-4-3-5-20(16-18)26(28)29;1-27-9-10-28-19-7-5-14(11-16-6-8-20(24)22-21-16)12-18(19)15-3-2-4-17(13-15)23(25)26;1-25-17-7-5-12(9-14-6-8-18(22)20-19-14)10-16(17)13-3-2-4-15(11-13)21(23)24;21-16-6-4-11(8-13-5-7-17(22)19-18-13)9-15(16)12-2-1-3-14(10-12)20(23)24;2-1-4-3;2-1(3)4;;;/h3-9,15-16H,10-14H2,1-2H3;2-8,12-13H,9-11H2,1H3,(H,22,24);2-8,10-11H,9H2,1H3,(H,20,22);1-7,9-10,21H,8H2,(H,19,22);1,3H;;;;/q;;;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;hydride;3-[[4-hydroxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;6-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-2-(2-methoxyethyl)pyridazin-3-one;3-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;oxido formate;tribromoborane?
dipotassium;hydride;3-[[4-hydroxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;6-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-2-(2-methoxyethyl)pyridazin-3-one;3-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;oxido formate;tribromoborane has a molecular weight of 1872.24 g/mol, XLogP of 6.34, 29 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;hydride;3-[[4-hydroxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;6-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-2-(2-methoxyethyl)pyridazin-3-one;3-[[4-(2-methoxyethoxy)-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one;oxido formate;tribromoborane is sourced from PubChem (CID 159653033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).