4-chloro-2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-6-nitrophenol

C11H7Cl2N5O3 — CID 135606779

IUPAC4-chloro-2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)cc(/C=N/Nc2ccc(Cl)nn2)c1O
InChIInChI=1S/C11H7Cl2N5O3/c12-7-3-6(11(19)8(4-7)18(20)21)5-14-16-10-2-1-9(13)15-17-10/h1-5,19H,(H,16,17)/b14-5+
InChIKeyGHRBUHJHLPXPJI-LHHJGKSTSA-N
MW328.12 g/mol
LogP2.84
Rot. Bonds4

About 4-chloro-2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-6-nitrophenol

4-chloro-2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-6-nitrophenol (PubChem CID 135606779) has the molecular formula C11H7Cl2N5O3 and a molecular weight of 328.12 g/mol. Its IUPAC name is 4-chloro-2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-6-nitrophenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-6-nitrophenol
PubChem CID135606779
Molecular FormulaC11H7Cl2N5O3
Molecular Weight328.12 g/mol
Exact Mass326.99
IUPAC Name4-chloro-2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)cc(/C=N/Nc2ccc(Cl)nn2)c1O
InChIInChI=1S/C11H7Cl2N5O3/c12-7-3-6(11(19)8(4-7)18(20)21)5-14-16-10-2-1-9(13)15-17-10/h1-5,19H,(H,16,17)/b14-5+
InChIKeyGHRBUHJHLPXPJI-LHHJGKSTSA-N
XLogP2.84
TPSA113.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-6-nitrophenol?
The IUPAC name of 4-chloro-2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-6-nitrophenol (CID 135606779) is 4-chloro-2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-6-nitrophenol.
What is the SMILES notation for 4-chloro-2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-6-nitrophenol?
The canonical SMILES for 4-chloro-2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-6-nitrophenol is O=[N+]([O-])c1cc(Cl)cc(/C=N/Nc2ccc(Cl)nn2)c1O.
What is the InChIKey of 4-chloro-2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-6-nitrophenol?
The InChIKey is GHRBUHJHLPXPJI-LHHJGKSTSA-N. The full InChI is InChI=1S/C11H7Cl2N5O3/c12-7-3-6(11(19)8(4-7)18(20)21)5-14-16-10-2-1-9(13)15-17-10/h1-5,19H,(H,16,17)/b14-5+.
What are the key properties of 4-chloro-2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-6-nitrophenol?
4-chloro-2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-6-nitrophenol has a molecular weight of 328.12 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-6-nitrophenol is sourced from PubChem (CID 135606779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).