(E)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoic acid

C10H7Cl2N3O4 — CID 2774696

IUPAC(E)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoic acid
SMILESO=C(O)/C(Cl)=C(\Cl)C=NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H7Cl2N3O4/c11-8(9(12)10(16)17)5-13-14-6-1-3-7(4-2-6)15(18)19/h1-5,14H,(H,16,17)/b9-8+,13-5?
InChIKeyIPZTWAULIXCHDE-HGNWCEHTSA-N
MW304.09 g/mol
LogP2.77
Rot. Bonds5

About (E)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoic acid

(E)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoic acid (PubChem CID 2774696) has the molecular formula C10H7Cl2N3O4 and a molecular weight of 304.09 g/mol. Its IUPAC name is (E)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoic acid.

Molecular Properties

Compound Name(E)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoic acid
PubChem CID2774696
Molecular FormulaC10H7Cl2N3O4
Molecular Weight304.09 g/mol
Exact Mass302.98
IUPAC Name(E)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoic acid
SMILESO=C(O)/C(Cl)=C(\Cl)C=NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H7Cl2N3O4/c11-8(9(12)10(16)17)5-13-14-6-1-3-7(4-2-6)15(18)19/h1-5,14H,(H,16,17)/b9-8+,13-5?
InChIKeyIPZTWAULIXCHDE-HGNWCEHTSA-N
XLogP2.77
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.09
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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

(E,4Z)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoate
CID 7164404
(2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid
CID 11816613
(1E)-1-[(4-nitrophenyl)hydrazinylidene]pentane-2,4-dione
CID 141451524
(1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
CID 6518748
(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
CID 5360802
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771
2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoic acid
CID 13082265
5-[(4-nitrophenyl)hydrazinylidene]pent-3-en-2-one
CID 131887668
4-nitro-N-[(Z)-2,2,2-trifluoroethylideneamino]aniline
CID 70056050
5-[[(4-nitrophenyl)hydrazinylidene]methyl]thiophene-2-carboxylic acid
CID 4732645
4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 7329457
(4-nitroanilino) carbonochloridate
CID 123545253

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoic acid?
The IUPAC name of (E)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoic acid (CID 2774696) is (E)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoic acid.
What is the SMILES notation for (E)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoic acid?
The canonical SMILES for (E)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoic acid is O=C(O)/C(Cl)=C(\Cl)C=NNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (E)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoic acid?
The InChIKey is IPZTWAULIXCHDE-HGNWCEHTSA-N. The full InChI is InChI=1S/C10H7Cl2N3O4/c11-8(9(12)10(16)17)5-13-14-6-1-3-7(4-2-6)15(18)19/h1-5,14H,(H,16,17)/b9-8+,13-5?.
What are the key properties of (E)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoic acid?
(E)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoic acid has a molecular weight of 304.09 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoic acid is sourced from PubChem (CID 2774696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).