2-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-4-nitrophenolate

C13H8F2N3O3- — CID 9058300

IUPAC2-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-4-nitrophenolate
SMILESO=[N+]([O-])c1ccc([O-])c(/C=N\Nc2ccc(F)cc2F)c1
InChIInChI=1S/C13H9F2N3O3/c14-9-1-3-12(11(15)6-9)17-16-7-8-5-10(18(20)21)2-4-13(8)19/h1-7,17,19H/p-1/b16-7-
InChIKeyRZLVFHJIJKVEFI-APSNUPSMSA-M
MW292.22 g/mol
LogP2.39
Rot. Bonds4

About 2-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-4-nitrophenolate

2-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-4-nitrophenolate (PubChem CID 9058300) has the molecular formula C13H8F2N3O3- and a molecular weight of 292.22 g/mol. Its IUPAC name is 2-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-4-nitrophenolate.

Molecular Properties

Compound Name2-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-4-nitrophenolate
PubChem CID9058300
Molecular FormulaC13H8F2N3O3-
Molecular Weight292.22 g/mol
Exact Mass292.05
IUPAC Name2-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-4-nitrophenolate
SMILESO=[N+]([O-])c1ccc([O-])c(/C=N\Nc2ccc(F)cc2F)c1
InChIInChI=1S/C13H9F2N3O3/c14-9-1-3-12(11(15)6-9)17-16-7-8-5-10(18(20)21)2-4-13(8)19/h1-7,17,19H/p-1/b16-7-
InChIKeyRZLVFHJIJKVEFI-APSNUPSMSA-M
XLogP2.39
TPSA90.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-nitro-2-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate
CID 7311295
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
manganese(3+);4-nitro-2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 6712093
2-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 135582503
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2,4-dinitroaniline
CID 9016180
4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135755003
N-[(Z)-(2,4-dichloropyrimidin-5-yl)methylideneamino]-2,4-difluoroaniline
CID 176675526
2-N-[(Z)-(2-fluoro-5-nitrophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 6088818
4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate
CID 6955397
2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]-4-nitrophenolate
CID 6993529
2-[(Z)-(cyclohexylmethylhydrazinylidene)methyl]-4-nitrophenolate
CID 7244718
2-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]-4-nitrophenolate
CID 7073727

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-4-nitrophenolate?
The IUPAC name of 2-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-4-nitrophenolate (CID 9058300) is 2-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-4-nitrophenolate.
What is the SMILES notation for 2-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-4-nitrophenolate?
The canonical SMILES for 2-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-4-nitrophenolate is O=[N+]([O-])c1ccc([O-])c(/C=N\Nc2ccc(F)cc2F)c1.
What is the InChIKey of 2-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-4-nitrophenolate?
The InChIKey is RZLVFHJIJKVEFI-APSNUPSMSA-M. The full InChI is InChI=1S/C13H9F2N3O3/c14-9-1-3-12(11(15)6-9)17-16-7-8-5-10(18(20)21)2-4-13(8)19/h1-7,17,19H/p-1/b16-7-.
What are the key properties of 2-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-4-nitrophenolate?
2-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-4-nitrophenolate has a molecular weight of 292.22 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-4-nitrophenolate is sourced from PubChem (CID 9058300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).