2-methoxy-4-nitro-6-[(Z)-[(2-pyridin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenolate

C15H13N4O5S- — CID 6997022

IUPAC2-methoxy-4-nitro-6-[(Z)-[(2-pyridin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenolate
SMILESCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)CSc2ccccn2)c1[O-]
InChIInChI=1S/C15H14N4O5S/c1-24-12-7-11(19(22)23)6-10(15(12)21)8-17-18-13(20)9-25-14-4-2-3-5-16-14/h2-8,21H,9H2,1H3,(H,18,20)/p-1/b17-8-
InChIKeyACJWIASIYBEPTR-IUXPMGMMSA-M
MW361.36 g/mol
LogP1.31
Rot. Bonds7

About 2-methoxy-4-nitro-6-[(Z)-[(2-pyridin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenolate

2-methoxy-4-nitro-6-[(Z)-[(2-pyridin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenolate (PubChem CID 6997022) has the molecular formula C15H13N4O5S- and a molecular weight of 361.36 g/mol. Its IUPAC name is 2-methoxy-4-nitro-6-[(Z)-[(2-pyridin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenolate.

Molecular Properties

Compound Name2-methoxy-4-nitro-6-[(Z)-[(2-pyridin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenolate
PubChem CID6997022
Molecular FormulaC15H13N4O5S-
Molecular Weight361.36 g/mol
Exact Mass361.06
IUPAC Name2-methoxy-4-nitro-6-[(Z)-[(2-pyridin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenolate
SMILESCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)CSc2ccccn2)c1[O-]
InChIInChI=1S/C15H14N4O5S/c1-24-12-7-11(19(22)23)6-10(15(12)21)8-17-18-13(20)9-25-14-4-2-3-5-16-14/h2-8,21H,9H2,1H3,(H,18,20)/p-1/b17-8-
InChIKeyACJWIASIYBEPTR-IUXPMGMMSA-M
XLogP1.31
TPSA129.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
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'}

Analyze 2-methoxy-4-nitro-6-[(Z)-[(2-pyridin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 135486010
N-[(2-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 790794
2-pyridin-2-ylsulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5331422
2-[(E)-[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]-6-methoxy-4-nitrophenolate
CID 46924586
N-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 5424100
N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 135716735
2-ethoxy-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 135554747
2-(2-chlorophenoxy)-N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 4006296
2-[(E)-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazinylidene]methyl]-6-methoxy-4-nitrophenolate
CID 7241873
N-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide
CID 3090224
2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]-N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 4031515
N-[(E)-1H-indol-3-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 135439639

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-nitro-6-[(Z)-[(2-pyridin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenolate?
The IUPAC name of 2-methoxy-4-nitro-6-[(Z)-[(2-pyridin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenolate (CID 6997022) is 2-methoxy-4-nitro-6-[(Z)-[(2-pyridin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenolate.
What is the SMILES notation for 2-methoxy-4-nitro-6-[(Z)-[(2-pyridin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenolate?
The canonical SMILES for 2-methoxy-4-nitro-6-[(Z)-[(2-pyridin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenolate is COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)CSc2ccccn2)c1[O-].
What is the InChIKey of 2-methoxy-4-nitro-6-[(Z)-[(2-pyridin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenolate?
The InChIKey is ACJWIASIYBEPTR-IUXPMGMMSA-M. The full InChI is InChI=1S/C15H14N4O5S/c1-24-12-7-11(19(22)23)6-10(15(12)21)8-17-18-13(20)9-25-14-4-2-3-5-16-14/h2-8,21H,9H2,1H3,(H,18,20)/p-1/b17-8-.
What are the key properties of 2-methoxy-4-nitro-6-[(Z)-[(2-pyridin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenolate?
2-methoxy-4-nitro-6-[(Z)-[(2-pyridin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenolate has a molecular weight of 361.36 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-nitro-6-[(Z)-[(2-pyridin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenolate is sourced from PubChem (CID 6997022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).