2-ethoxy-6-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate

C16H13FN3O5- — CID 7308981

IUPAC2-ethoxy-6-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
SMILESCCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccccc2F)c1[O-]
InChIInChI=1S/C16H14FN3O5/c1-2-25-14-8-11(20(23)24)7-10(15(14)21)9-18-19-16(22)12-5-3-4-6-13(12)17/h3-9,21H,2H2,1H3,(H,19,22)/p-1/b18-9-
InChIKeyATMVULPOERCOFS-NVMNQCDNSA-M
MW346.29 g/mol
LogP1.97
Rot. Bonds6

About 2-ethoxy-6-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate

2-ethoxy-6-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate (PubChem CID 7308981) has the molecular formula C16H13FN3O5- and a molecular weight of 346.29 g/mol. Its IUPAC name is 2-ethoxy-6-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate.

Molecular Properties

Compound Name2-ethoxy-6-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
PubChem CID7308981
Molecular FormulaC16H13FN3O5-
Molecular Weight346.29 g/mol
Exact Mass346.08
IUPAC Name2-ethoxy-6-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
SMILESCCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccccc2F)c1[O-]
InChIInChI=1S/C16H14FN3O5/c1-2-25-14-8-11(20(23)24)7-10(15(14)21)9-18-19-16(22)12-5-3-4-6-13(12)17/h3-9,21H,2H2,1H3,(H,19,22)/p-1/b18-9-
InChIKeyATMVULPOERCOFS-NVMNQCDNSA-M
XLogP1.97
TPSA116.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-ethoxy-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 135554747
2-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-ethoxy-4-nitrophenolate
CID 7368890
N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 2593226
2-ethoxy-6-[(Z)-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]-4-nitrophenolate
CID 7341344
N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 5457641
N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide
CID 676026
2-ethoxy-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-6-nitrophenolate
CID 135783746
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-fluorobenzamide
CID 773930
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 135578890
2-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-6-methyl-4-nitrophenolate
CID 7373526
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 6907962
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 135643368

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate?
The IUPAC name of 2-ethoxy-6-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate (CID 7308981) is 2-ethoxy-6-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate.
What is the SMILES notation for 2-ethoxy-6-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate?
The canonical SMILES for 2-ethoxy-6-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate is CCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccccc2F)c1[O-].
What is the InChIKey of 2-ethoxy-6-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate?
The InChIKey is ATMVULPOERCOFS-NVMNQCDNSA-M. The full InChI is InChI=1S/C16H14FN3O5/c1-2-25-14-8-11(20(23)24)7-10(15(14)21)9-18-19-16(22)12-5-3-4-6-13(12)17/h3-9,21H,2H2,1H3,(H,19,22)/p-1/b18-9-.
What are the key properties of 2-ethoxy-6-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate?
2-ethoxy-6-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate has a molecular weight of 346.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate is sourced from PubChem (CID 7308981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).