ethanol;(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-))

C16H17MoN3O6-6 — CID 139146569

IUPACethanol;(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-))
SMILESCCO.COc1ccc(/C=N/N=C(\[O-])c2ccncc2)c([O-])c1.[Mo].[O-2].[O-2]
InChIInChI=1S/C14H13N3O3.C2H6O.Mo.2O/c1-20-12-3-2-11(13(18)8-12)9-16-17-14(19)10-4-6-15-7-5-10;1-2-3;;;/h2-9,18H,1H3,(H,17,19);3H,2H2,1H3;;;/q;;;2*-2/p-2/b16-9+;;;;
InChIKeyOUDCVSBSUDXORK-HSDZVJCUSA-L
MW443.27 g/mol
LogP0.06
Rot. Bonds4

About ethanol;(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-))

ethanol;(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-)) (PubChem CID 139146569) has the molecular formula C16H17MoN3O6-6 and a molecular weight of 443.27 g/mol. Its IUPAC name is ethanol;(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-)).

Molecular Properties

Compound Nameethanol;(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-))
PubChem CID139146569
Molecular FormulaC16H17MoN3O6-6
Molecular Weight443.27 g/mol
Exact Mass445.02
IUPAC Nameethanol;(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-))
SMILESCCO.COc1ccc(/C=N/N=C(\[O-])c2ccncc2)c([O-])c1.[Mo].[O-2].[O-2]
InChIInChI=1S/C14H13N3O3.C2H6O.Mo.2O/c1-20-12-3-2-11(13(18)8-12)9-16-17-14(19)10-4-6-15-7-5-10;1-2-3;;;/h2-9,18H,1H3,(H,17,19);3H,2H2,1H3;;;/q;;;2*-2/p-2/b16-9+;;;;
InChIKeyOUDCVSBSUDXORK-HSDZVJCUSA-L
XLogP0.06
TPSA170.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.27
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-((2,4-Dimethoxyphenyl)methylene)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 5310985
4-[2-(3,5-Dimethoxy-phenyl)-vinyl]-pyridine
CID 11957947
4-[(E)-5,6-Dihydro-2,3'-bipyridin-3(4H)-ylidenemethyl]-3-methoxyphenol
CID 135508231
3-(2-Hydroxy-4-methoxybenzylidene)anabaseine
CID 135524501
1-[3-(4-Methyl-2-oxo-2H-chromen-7-yloxy)-propyl]-pyridinium
CID 16682426
N-[(2,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid
CID 23724238
(2,4-Dimethoxy-benzyl)-pyridin-4-ylmethyl-amine hydrochloride
CID 24746804
2-amino-7-methoxy-4-(pyridin-3-yl)-4H-chromene-3-carbonitrile
CID 3633856
3-(2,4,6-Trimethoxybenzylidene)anabaseine
CID 11595246
3-(2,4-Dimethoxybenzyl)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 46907472
US9682910, 4-((2-Methoxypyridin-3-yl)methyl)benzene-1,3-diol (8)
CID 44611571
4-((5-Methoxy-2-methylphenoxy)methyl)pyridine
CID 46937073

Frequently Asked Questions

What is the IUPAC name of ethanol;(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-))?
The IUPAC name of ethanol;(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-)) (CID 139146569) is ethanol;(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-)).
What is the SMILES notation for ethanol;(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-))?
The canonical SMILES for ethanol;(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-)) is CCO.COc1ccc(/C=N/N=C(\[O-])c2ccncc2)c([O-])c1.[Mo].[O-2].[O-2].
What is the InChIKey of ethanol;(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-))?
The InChIKey is OUDCVSBSUDXORK-HSDZVJCUSA-L. The full InChI is InChI=1S/C14H13N3O3.C2H6O.Mo.2O/c1-20-12-3-2-11(13(18)8-12)9-16-17-14(19)10-4-6-15-7-5-10;1-2-3;;;/h2-9,18H,1H3,(H,17,19);3H,2H2,1H3;;;/q;;;2*-2/p-2/b16-9+;;;;.
What are the key properties of ethanol;(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-))?
ethanol;(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-)) has a molecular weight of 443.27 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-)) is sourced from PubChem (CID 139146569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).