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

C19H16MoN4O5-6 — CID 139146572

IUPAC(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-));pyridine
SMILESCOc1ccc(/C=N/N=C(\[O-])c2ccncc2)c([O-])c1.[Mo].[O-2].[O-2].c1ccncc1
InChIInChI=1S/C14H13N3O3.C5H5N.Mo.2O/c1-20-12-3-2-11(13(18)8-12)9-16-17-14(19)10-4-6-15-7-5-10;1-2-4-6-5-3-1;;;/h2-9,18H,1H3,(H,17,19);1-5H;;;/q;;;2*-2/p-2/b16-9+;;;;
InChIKeyWVHTXOJZDMEOOW-HSDZVJCUSA-L
MW476.30 g/mol
LogP1.15
Rot. Bonds4

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

(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-));pyridine (PubChem CID 139146572) has the molecular formula C19H16MoN4O5-6 and a molecular weight of 476.30 g/mol. Its IUPAC name is (NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-));pyridine.

Molecular Properties

Compound Name(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-));pyridine
PubChem CID139146572
Molecular FormulaC19H16MoN4O5-6
Molecular Weight476.30 g/mol
Exact Mass478.02
IUPAC Name(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-));pyridine
SMILESCOc1ccc(/C=N/N=C(\[O-])c2ccncc2)c([O-])c1.[Mo].[O-2].[O-2].c1ccncc1
InChIInChI=1S/C14H13N3O3.C5H5N.Mo.2O/c1-20-12-3-2-11(13(18)8-12)9-16-17-14(19)10-4-6-15-7-5-10;1-2-4-6-5-3-1;;;/h2-9,18H,1H3,(H,17,19);1-5H;;;/q;;;2*-2/p-2/b16-9+;;;;
InChIKeyWVHTXOJZDMEOOW-HSDZVJCUSA-L
XLogP1.15
TPSA162.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.30
LogP ≤ 51.15
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

(3E)-3-((2,4-Dimethoxyphenyl)methylene)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 5310985
4-[(E)-5,6-Dihydro-2,3'-bipyridin-3(4H)-ylidenemethyl]-3-methoxyphenol
CID 135508231
3-(2-Hydroxy-4-methoxybenzylidene)anabaseine
CID 135524501
(2,4-Dimethoxy-benzyl)-pyridin-4-ylmethyl-amine hydrochloride
CID 24746804
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
1-(2,4-Dimethoxyphenyl)-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium iodide
CID 15945026
3-(2,4-Dimethoxy-benzyl)-[2,3'']bipyridinyl
CID 44349013
3-(2-i-Propoxy-4-methoxybenzylidene)anabaseine
CID 46703035
3-[2-(Pentan-3-yloxy)-4-methoxybenzylidene]anabaseine
CID 46703036

Frequently Asked Questions

What is the IUPAC name of (NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-));pyridine?
The IUPAC name of (NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-));pyridine (CID 139146572) is (NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-));pyridine.
What is the SMILES notation for (NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-));pyridine?
The canonical SMILES for (NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-));pyridine is COc1ccc(/C=N/N=C(\[O-])c2ccncc2)c([O-])c1.[Mo].[O-2].[O-2].c1ccncc1.
What is the InChIKey of (NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-));pyridine?
The InChIKey is WVHTXOJZDMEOOW-HSDZVJCUSA-L. The full InChI is InChI=1S/C14H13N3O3.C5H5N.Mo.2O/c1-20-12-3-2-11(13(18)8-12)9-16-17-14(19)10-4-6-15-7-5-10;1-2-4-6-5-3-1;;;/h2-9,18H,1H3,(H,17,19);1-5H;;;/q;;;2*-2/p-2/b16-9+;;;;.
What are the key properties of (NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-));pyridine?
(NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;molybdenum;bis(oxygen(2-));pyridine has a molecular weight of 476.30 g/mol, XLogP of 1.15, 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;molybdenum;bis(oxygen(2-));pyridine is sourced from PubChem (CID 139146572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).