4-[(Z)-[[6-(hydroxymethyl)pyridine-3-carbonyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate

C15H13N4O6- — CID 6938592

IUPAC4-[(Z)-[[6-(hydroxymethyl)pyridine-3-carbonyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate
SMILESCOc1cc(/C=N\NC(=O)c2ccc(CO)nc2)cc([N+](=O)[O-])c1[O-]
InChIInChI=1S/C15H14N4O6/c1-25-13-5-9(4-12(14(13)21)19(23)24)6-17-18-15(22)10-2-3-11(8-20)16-7-10/h2-7,20-21H,8H2,1H3,(H,18,22)/p-1/b17-6-
InChIKeyKWTBXOWICDCEKI-FMQZQXMHSA-M
MW345.29 g/mol
LogP0.33
Rot. Bonds6

About 4-[(Z)-[[6-(hydroxymethyl)pyridine-3-carbonyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate

4-[(Z)-[[6-(hydroxymethyl)pyridine-3-carbonyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate (PubChem CID 6938592) has the molecular formula C15H13N4O6- and a molecular weight of 345.29 g/mol. Its IUPAC name is 4-[(Z)-[[6-(hydroxymethyl)pyridine-3-carbonyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate.

Molecular Properties

Compound Name4-[(Z)-[[6-(hydroxymethyl)pyridine-3-carbonyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate
PubChem CID6938592
Molecular FormulaC15H13N4O6-
Molecular Weight345.29 g/mol
Exact Mass345.08
IUPAC Name4-[(Z)-[[6-(hydroxymethyl)pyridine-3-carbonyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate
SMILESCOc1cc(/C=N\NC(=O)c2ccc(CO)nc2)cc([N+](=O)[O-])c1[O-]
InChIInChI=1S/C15H14N4O6/c1-25-13-5-9(4-12(14(13)21)19(23)24)6-17-18-15(22)10-2-3-11(8-20)16-7-10/h2-7,20-21H,8H2,1H3,(H,18,22)/p-1/b17-6-
InChIKeyKWTBXOWICDCEKI-FMQZQXMHSA-M
XLogP0.33
TPSA150.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.29
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-[(4-iodo-3-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate
CID 7129870
4-[(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]-2-methoxy-6-nitrophenolate
CID 5064024
4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]-2-methoxy-6-nitrophenolate
CID 6894052
N-[(Z)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-methylbenzamide
CID 110509146
4-hydroxy-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
CID 135852510
N-[(Z)-(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 110514733
4-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate
CID 7338908
N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 137062726
2-methoxy-4-[(Z)-[[3-(4-methylphenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]-6-nitrophenolate
CID 9027572
N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-propoxybenzamide
CID 137268508
4-[(E)-[[2-(2,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate
CID 6898631
3,4-dimethoxy-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 9232133

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[[6-(hydroxymethyl)pyridine-3-carbonyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate?
The IUPAC name of 4-[(Z)-[[6-(hydroxymethyl)pyridine-3-carbonyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate (CID 6938592) is 4-[(Z)-[[6-(hydroxymethyl)pyridine-3-carbonyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate.
What is the SMILES notation for 4-[(Z)-[[6-(hydroxymethyl)pyridine-3-carbonyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate?
The canonical SMILES for 4-[(Z)-[[6-(hydroxymethyl)pyridine-3-carbonyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate is COc1cc(/C=N\NC(=O)c2ccc(CO)nc2)cc([N+](=O)[O-])c1[O-].
What is the InChIKey of 4-[(Z)-[[6-(hydroxymethyl)pyridine-3-carbonyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate?
The InChIKey is KWTBXOWICDCEKI-FMQZQXMHSA-M. The full InChI is InChI=1S/C15H14N4O6/c1-25-13-5-9(4-12(14(13)21)19(23)24)6-17-18-15(22)10-2-3-11(8-20)16-7-10/h2-7,20-21H,8H2,1H3,(H,18,22)/p-1/b17-6-.
What are the key properties of 4-[(Z)-[[6-(hydroxymethyl)pyridine-3-carbonyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate?
4-[(Z)-[[6-(hydroxymethyl)pyridine-3-carbonyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate has a molecular weight of 345.29 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[[6-(hydroxymethyl)pyridine-3-carbonyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate is sourced from PubChem (CID 6938592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).