4-chloro-2-nitro-6-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate

C13H8ClN4O5- — CID 7415322

IUPAC4-chloro-2-nitro-6-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate
SMILESO=[N+]([O-])c1ccccc1N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]
InChIInChI=1S/C13H9ClN4O5/c14-9-5-8(13(19)12(6-9)18(22)23)7-15-16-10-3-1-2-4-11(10)17(20)21/h1-7,16,19H/p-1/b15-7-
InChIKeyJXCCDHVFOHEVTJ-CHHVJCJISA-M
MW335.68 g/mol
LogP2.68
Rot. Bonds5

About 4-chloro-2-nitro-6-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate

4-chloro-2-nitro-6-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate (PubChem CID 7415322) has the molecular formula C13H8ClN4O5- and a molecular weight of 335.68 g/mol. Its IUPAC name is 4-chloro-2-nitro-6-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate.

Molecular Properties

Compound Name4-chloro-2-nitro-6-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate
PubChem CID7415322
Molecular FormulaC13H8ClN4O5-
Molecular Weight335.68 g/mol
Exact Mass335.02
IUPAC Name4-chloro-2-nitro-6-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate
SMILESO=[N+]([O-])c1ccccc1N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]
InChIInChI=1S/C13H9ClN4O5/c14-9-5-8(13(19)12(6-9)18(22)23)7-15-16-10-3-1-2-4-11(10)17(20)21/h1-7,16,19H/p-1/b15-7-
InChIKeyJXCCDHVFOHEVTJ-CHHVJCJISA-M
XLogP2.68
TPSA133.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.68
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 3698846
4-nitro-2-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate
CID 7311295
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-nitroaniline
CID 9059022
2-[(2-bromophenyl)iminomethyl]-4-chloro-6-nitrophenolate
CID 7601605
2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline
CID 27137964
4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol
CID 4071998
2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline
CID 9014623
2-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]aniline
CID 135620066
4-chloro-2-nitro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 135763883
4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 3097115
4-chloro-2-[(4-fluorophenyl)iminomethyl]-6-nitrophenolate
CID 6921906
4-chloro-2-nitro-6-[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 3298245

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-nitro-6-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate?
The IUPAC name of 4-chloro-2-nitro-6-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate (CID 7415322) is 4-chloro-2-nitro-6-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate.
What is the SMILES notation for 4-chloro-2-nitro-6-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate?
The canonical SMILES for 4-chloro-2-nitro-6-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate is O=[N+]([O-])c1ccccc1N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-].
What is the InChIKey of 4-chloro-2-nitro-6-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate?
The InChIKey is JXCCDHVFOHEVTJ-CHHVJCJISA-M. The full InChI is InChI=1S/C13H9ClN4O5/c14-9-5-8(13(19)12(6-9)18(22)23)7-15-16-10-3-1-2-4-11(10)17(20)21/h1-7,16,19H/p-1/b15-7-.
What are the key properties of 4-chloro-2-nitro-6-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate?
4-chloro-2-nitro-6-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate has a molecular weight of 335.68 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-nitro-6-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate is sourced from PubChem (CID 7415322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).