(NE,3Z)-N-[(5-methoxy-2-oxidophenyl)methylidene]pyridine-3-carbohydrazonate;vanadium(4+);dihydroxide

C14H13N3O5V — CID 74763337

IUPAC(NE,3Z)-N-[(5-methoxy-2-oxidophenyl)methylidene]pyridine-3-carbohydrazonate;vanadium(4+);dihydroxide
SMILESCOc1ccc([O-])c(/C=N/N=C(\[O-])c2cccnc2)c1.[OH-].[OH-].[V+4]
InChIInChI=1S/C14H13N3O3.2H2O.V/c1-20-12-4-5-13(18)11(7-12)9-16-17-14(19)10-3-2-6-15-8-10;;;/h2-9,18H,1H3,(H,17,19);2*1H2;/q;;;+4/p-4/b16-9+;;;
InChIKeyHPVVCKUGWXYUDY-FCVRRRHYSA-J
MW354.22 g/mol
LogP-0.05
Rot. Bonds4

About (NE,3Z)-N-[(5-methoxy-2-oxidophenyl)methylidene]pyridine-3-carbohydrazonate;vanadium(4+);dihydroxide

(NE,3Z)-N-[(5-methoxy-2-oxidophenyl)methylidene]pyridine-3-carbohydrazonate;vanadium(4+);dihydroxide (PubChem CID 74763337) has the molecular formula C14H13N3O5V and a molecular weight of 354.22 g/mol. Its IUPAC name is (NE,3Z)-N-[(5-methoxy-2-oxidophenyl)methylidene]pyridine-3-carbohydrazonate;vanadium(4+);dihydroxide.

Molecular Properties

Compound Name(NE,3Z)-N-[(5-methoxy-2-oxidophenyl)methylidene]pyridine-3-carbohydrazonate;vanadium(4+);dihydroxide
PubChem CID74763337
Molecular FormulaC14H13N3O5V
Molecular Weight354.22 g/mol
Exact Mass354.03
IUPAC Name(NE,3Z)-N-[(5-methoxy-2-oxidophenyl)methylidene]pyridine-3-carbohydrazonate;vanadium(4+);dihydroxide
SMILESCOc1ccc([O-])c(/C=N/N=C(\[O-])c2cccnc2)c1.[OH-].[OH-].[V+4]
InChIInChI=1S/C14H13N3O3.2H2O.V/c1-20-12-4-5-13(18)11(7-12)9-16-17-14(19)10-3-2-6-15-8-10;;;/h2-9,18H,1H3,(H,17,19);2*1H2;/q;;;+4/p-4/b16-9+;;;
InChIKeyHPVVCKUGWXYUDY-FCVRRRHYSA-J
XLogP-0.05
TPSA152.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate;methylsulfinylmethane;molybdenum;bis(oxygen(2-))
CID 139146573
N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-3-carboxamide;methanol
CID 139204410
cobalt(2+);bis((NE,3Z)-N-[[6-(hydroxymethyl)-2-pyridinyl]methylidene]pyridine-3-carbohydrazonate)
CID 139144201
(NE,1Z)-4-methoxy-N-(pyridin-3-ylmethylidene)benzenecarbohydrazonoyl chloride
CID 177475963
N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4227241
2-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-4-methoxyphenolate
CID 135692416
(E)-3-(6-methoxynaphthalen-2-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854375
1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 43321352
N'-[2-(3-methoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 17386186
4-methoxy-2-[[3-(2H-tetrazol-5-yl)phenyl]iminomethyl]phenolate
CID 7608921
[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-3-ylmethanone
CID 134621203
(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-3-ylmethanone
CID 110662984

Frequently Asked Questions

What is the IUPAC name of (NE,3Z)-N-[(5-methoxy-2-oxidophenyl)methylidene]pyridine-3-carbohydrazonate;vanadium(4+);dihydroxide?
The IUPAC name of (NE,3Z)-N-[(5-methoxy-2-oxidophenyl)methylidene]pyridine-3-carbohydrazonate;vanadium(4+);dihydroxide (CID 74763337) is (NE,3Z)-N-[(5-methoxy-2-oxidophenyl)methylidene]pyridine-3-carbohydrazonate;vanadium(4+);dihydroxide.
What is the SMILES notation for (NE,3Z)-N-[(5-methoxy-2-oxidophenyl)methylidene]pyridine-3-carbohydrazonate;vanadium(4+);dihydroxide?
The canonical SMILES for (NE,3Z)-N-[(5-methoxy-2-oxidophenyl)methylidene]pyridine-3-carbohydrazonate;vanadium(4+);dihydroxide is COc1ccc([O-])c(/C=N/N=C(\[O-])c2cccnc2)c1.[OH-].[OH-].[V+4].
What is the InChIKey of (NE,3Z)-N-[(5-methoxy-2-oxidophenyl)methylidene]pyridine-3-carbohydrazonate;vanadium(4+);dihydroxide?
The InChIKey is HPVVCKUGWXYUDY-FCVRRRHYSA-J. The full InChI is InChI=1S/C14H13N3O3.2H2O.V/c1-20-12-4-5-13(18)11(7-12)9-16-17-14(19)10-3-2-6-15-8-10;;;/h2-9,18H,1H3,(H,17,19);2*1H2;/q;;;+4/p-4/b16-9+;;;.
What are the key properties of (NE,3Z)-N-[(5-methoxy-2-oxidophenyl)methylidene]pyridine-3-carbohydrazonate;vanadium(4+);dihydroxide?
(NE,3Z)-N-[(5-methoxy-2-oxidophenyl)methylidene]pyridine-3-carbohydrazonate;vanadium(4+);dihydroxide has a molecular weight of 354.22 g/mol, XLogP of -0.05, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,3Z)-N-[(5-methoxy-2-oxidophenyl)methylidene]pyridine-3-carbohydrazonate;vanadium(4+);dihydroxide is sourced from PubChem (CID 74763337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).