2-[C-(6-chloropyridazin-3-yl)carbonohydrazonoyl]-6-nitrophenol

C11H8ClN5O3 — CID 154279075

IUPAC2-[C-(6-chloropyridazin-3-yl)carbonohydrazonoyl]-6-nitrophenol
SMILESNN=C(c1ccc(Cl)nn1)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C11H8ClN5O3/c12-9-5-4-7(15-16-9)10(14-13)6-2-1-3-8(11(6)18)17(19)20/h1-5,18H,13H2
InChIKeyWKHUGGHRTVYCHE-UHFFFAOYSA-N
MW293.67 g/mol
LogP1.45
Rot. Bonds3

About 2-[C-(6-chloropyridazin-3-yl)carbonohydrazonoyl]-6-nitrophenol

2-[C-(6-chloropyridazin-3-yl)carbonohydrazonoyl]-6-nitrophenol (PubChem CID 154279075) has the molecular formula C11H8ClN5O3 and a molecular weight of 293.67 g/mol. Its IUPAC name is 2-[C-(6-chloropyridazin-3-yl)carbonohydrazonoyl]-6-nitrophenol.

Molecular Properties

Compound Name2-[C-(6-chloropyridazin-3-yl)carbonohydrazonoyl]-6-nitrophenol
PubChem CID154279075
Molecular FormulaC11H8ClN5O3
Molecular Weight293.67 g/mol
Exact Mass293.03
IUPAC Name2-[C-(6-chloropyridazin-3-yl)carbonohydrazonoyl]-6-nitrophenol
SMILESNN=C(c1ccc(Cl)nn1)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C11H8ClN5O3/c12-9-5-4-7(15-16-9)10(14-13)6-2-1-3-8(11(6)18)17(19)20/h1-5,18H,13H2
InChIKeyWKHUGGHRTVYCHE-UHFFFAOYSA-N
XLogP1.45
TPSA127.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.67
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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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Related Compounds

3-[(Z)-C-(2-nitrophenyl)carbonohydrazonoyl]benzene-1,2-diol
CID 135801832
2-hydroxy-3-nitrobenzohydrazide
CID 11367606
CID 58418423
CID 58418423
2-hydroxy-N,N,N'-trimethyl-3-nitrobenzenecarboximidamide
CID 135753762
2,6-diaminophenol;2,6-dinitrophenol
CID 161330338
2-hydroxy-3-nitrobenzenesulfonyl chloride
CID 55280798
(2-hydroxy-3-nitrophenyl)-pyrrol-1-ylmethanone
CID 141362308
6-chloro-N-(4-chloro-3-nitrophenyl)pyridazine-3-carboxamide
CID 61040906
2-hydroxy-3-nitro-N-(2-sulfamoylethyl)benzamide
CID 103800076
2-[2,3-diamino-4-(2-hydroxy-3-nitrophenyl)buta-1,3-dienyl]-6-nitrophenol
CID 173446234
2-hydroxy-3-nitro-N-(2H-tetrazol-5-yl)benzamide
CID 12962786
azanium 2-carbamoyl-3-nitrobenzoate
CID 22626949

Frequently Asked Questions

What is the IUPAC name of 2-[C-(6-chloropyridazin-3-yl)carbonohydrazonoyl]-6-nitrophenol?
The IUPAC name of 2-[C-(6-chloropyridazin-3-yl)carbonohydrazonoyl]-6-nitrophenol (CID 154279075) is 2-[C-(6-chloropyridazin-3-yl)carbonohydrazonoyl]-6-nitrophenol.
What is the SMILES notation for 2-[C-(6-chloropyridazin-3-yl)carbonohydrazonoyl]-6-nitrophenol?
The canonical SMILES for 2-[C-(6-chloropyridazin-3-yl)carbonohydrazonoyl]-6-nitrophenol is NN=C(c1ccc(Cl)nn1)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 2-[C-(6-chloropyridazin-3-yl)carbonohydrazonoyl]-6-nitrophenol?
The InChIKey is WKHUGGHRTVYCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5O3/c12-9-5-4-7(15-16-9)10(14-13)6-2-1-3-8(11(6)18)17(19)20/h1-5,18H,13H2.
What are the key properties of 2-[C-(6-chloropyridazin-3-yl)carbonohydrazonoyl]-6-nitrophenol?
2-[C-(6-chloropyridazin-3-yl)carbonohydrazonoyl]-6-nitrophenol has a molecular weight of 293.67 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[C-(6-chloropyridazin-3-yl)carbonohydrazonoyl]-6-nitrophenol is sourced from PubChem (CID 154279075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).