2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid

C14H10N4O6 — CID 5463188

IUPAC2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid
SMILESO=C(O)c1ccccc1/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C14H10N4O6/c19-14(20)11-4-2-1-3-9(11)8-15-16-12-6-5-10(17(21)22)7-13(12)18(23)24/h1-8,16H,(H,19,20)/b15-8-
InChIKeyNJIWCXYRLFQRKD-NVNXTCNLSA-N
MW330.26 g/mol
LogP2.65
Rot. Bonds6

About 2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid

2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid (PubChem CID 5463188) has the molecular formula C14H10N4O6 and a molecular weight of 330.26 g/mol. Its IUPAC name is 2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid
PubChem CID5463188
Molecular FormulaC14H10N4O6
Molecular Weight330.26 g/mol
Exact Mass330.06
IUPAC Name2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid
SMILESO=C(O)c1ccccc1/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C14H10N4O6/c19-14(20)11-4-2-1-3-9(11)8-15-16-12-6-5-10(17(21)22)7-13(12)18(23)24/h1-8,16H,(H,19,20)/b15-8-
InChIKeyNJIWCXYRLFQRKD-NVNXTCNLSA-N
XLogP2.65
TPSA147.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 52.65
H-Bond Donors ≤ 52
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-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]benzoic acid
CID 6303781
2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoic acid
CID 13082265
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2,4-dinitroaniline
CID 6132068
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135533486
4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 137122714
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,3-disulfonic acid
CID 45039106
N-[(E)-1H-indol-3-ylmethylideneamino]-2,4-dinitroaniline
CID 135411855
CID 131874611
CID 131874611
2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol
CID 137129355
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135442992
N-[(3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2,4-dinitroaniline
CID 4230597

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid (CID 5463188) is 2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid is O=C(O)c1ccccc1/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid?
The InChIKey is NJIWCXYRLFQRKD-NVNXTCNLSA-N. The full InChI is InChI=1S/C14H10N4O6/c19-14(20)11-4-2-1-3-9(11)8-15-16-12-6-5-10(17(21)22)7-13(12)18(23)24/h1-8,16H,(H,19,20)/b15-8-.
What are the key properties of 2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid?
2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid has a molecular weight of 330.26 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 5463188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).