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

C16H17MoN3O6S-6 — CID 139146573

IUPAC(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;methylsulfinylmethane;molybdenum;bis(oxygen(2-))
SMILESCOc1ccc(/C=N/N=C(\[O-])c2ccncc2)c([O-])c1.CS(C)=O.[Mo].[O-2].[O-2]
InChIInChI=1S/C14H13N3O3.C2H6OS.Mo.2O/c1-20-12-3-2-11(13(18)8-12)9-16-17-14(19)10-4-6-15-7-5-10;1-4(2)3;;;/h2-9,18H,1H3,(H,17,19);1-2H3;;;/q;;;2*-2/p-2/b16-9+;;;;
InChIKeyXVNAYDLRQSSNOU-HSDZVJCUSA-L
MW475.33 g/mol
LogP0.06
Rot. Bonds4

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

(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;methylsulfinylmethane;molybdenum;bis(oxygen(2-)) (PubChem CID 139146573) has the molecular formula C16H17MoN3O6S-6 and a molecular weight of 475.33 g/mol. Its IUPAC name is (NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;methylsulfinylmethane;molybdenum;bis(oxygen(2-)).

Molecular Properties

Compound Name(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;methylsulfinylmethane;molybdenum;bis(oxygen(2-))
PubChem CID139146573
Molecular FormulaC16H17MoN3O6S-6
Molecular Weight475.33 g/mol
Exact Mass476.99
IUPAC Name(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;methylsulfinylmethane;molybdenum;bis(oxygen(2-))
SMILESCOc1ccc(/C=N/N=C(\[O-])c2ccncc2)c([O-])c1.CS(C)=O.[Mo].[O-2].[O-2]
InChIInChI=1S/C14H13N3O3.C2H6OS.Mo.2O/c1-20-12-3-2-11(13(18)8-12)9-16-17-14(19)10-4-6-15-7-5-10;1-4(2)3;;;/h2-9,18H,1H3,(H,17,19);1-2H3;;;/q;;;2*-2/p-2/b16-9+;;;;
InChIKeyXVNAYDLRQSSNOU-HSDZVJCUSA-L
XLogP0.06
TPSA167.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.33
LogP ≤ 50.06
H-Bond Donors ≤ 50
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

(NE,3Z)-N-[(5-methoxy-2-oxidophenyl)methylidene]pyridine-3-carbohydrazonate;vanadium(4+);dihydroxide
CID 74763337
5-methoxy-2-[2-[(4-methoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 102108359
iron(3+);5-methoxy-2-[[2-[(4-methoxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;chloride
CID 50908685
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 139085490
1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione
CID 18704760
dicopper bis(5-methoxy-2-(3-oxidopropyliminomethyl)phenolate)
CID 139062484
(NE,4Z)-N-[[4-(4-ethylpyridin-1-ium-1-yl)-2-oxo-3H-1,3-thiazol-5-yl]methylidene]pyridine-4-carbohydrazonate
CID 135550894
bis(5-methoxy-2-(4-methoxy-2-oxidobenzoyl)phenolate);tetrakis(oxygen(2-));tetrakis(pyridine);tungsten
CID 139041578
4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine
CID 121329846
N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
CID 7275569
(5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone
CID 52795317
N-(2-amino-4-methoxyphenyl)pyridine-4-carboxamide
CID 16776915

Frequently Asked Questions

What is the IUPAC name of (NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;methylsulfinylmethane;molybdenum;bis(oxygen(2-))?
The IUPAC name of (NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;methylsulfinylmethane;molybdenum;bis(oxygen(2-)) (CID 139146573) is (NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;methylsulfinylmethane;molybdenum;bis(oxygen(2-)).
What is the SMILES notation for (NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;methylsulfinylmethane;molybdenum;bis(oxygen(2-))?
The canonical SMILES for (NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;methylsulfinylmethane;molybdenum;bis(oxygen(2-)) is COc1ccc(/C=N/N=C(\[O-])c2ccncc2)c([O-])c1.CS(C)=O.[Mo].[O-2].[O-2].
What is the InChIKey of (NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;methylsulfinylmethane;molybdenum;bis(oxygen(2-))?
The InChIKey is XVNAYDLRQSSNOU-HSDZVJCUSA-L. The full InChI is InChI=1S/C14H13N3O3.C2H6OS.Mo.2O/c1-20-12-3-2-11(13(18)8-12)9-16-17-14(19)10-4-6-15-7-5-10;1-4(2)3;;;/h2-9,18H,1H3,(H,17,19);1-2H3;;;/q;;;2*-2/p-2/b16-9+;;;;.
What are the key properties of (NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;methylsulfinylmethane;molybdenum;bis(oxygen(2-))?
(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;methylsulfinylmethane;molybdenum;bis(oxygen(2-)) has a molecular weight of 475.33 g/mol, XLogP of 0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;methylsulfinylmethane;molybdenum;bis(oxygen(2-)) is sourced from PubChem (CID 139146573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).