4-chloro-2-nitro-6-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenol

C12H9ClN4O3 — CID 135510999

IUPAC4-chloro-2-nitro-6-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenol
SMILESO=[N+]([O-])c1cc(Cl)cc(/C=N\Nc2ccccn2)c1O
InChIInChI=1S/C12H9ClN4O3/c13-9-5-8(12(18)10(6-9)17(19)20)7-15-16-11-3-1-2-4-14-11/h1-7,18H,(H,14,16)/b15-7-
InChIKeyQKWBKFITWDRUPK-CHHVJCJISA-N
MW292.68 g/mol
LogP2.79
Rot. Bonds4

About 4-chloro-2-nitro-6-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenol

4-chloro-2-nitro-6-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenol (PubChem CID 135510999) has the molecular formula C12H9ClN4O3 and a molecular weight of 292.68 g/mol. Its IUPAC name is 4-chloro-2-nitro-6-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-nitro-6-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenol
PubChem CID135510999
Molecular FormulaC12H9ClN4O3
Molecular Weight292.68 g/mol
Exact Mass292.04
IUPAC Name4-chloro-2-nitro-6-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenol
SMILESO=[N+]([O-])c1cc(Cl)cc(/C=N\Nc2ccccn2)c1O
InChIInChI=1S/C12H9ClN4O3/c13-9-5-8(12(18)10(6-9)17(19)20)7-15-16-11-3-1-2-4-14-11/h1-7,18H,(H,14,16)/b15-7-
InChIKeyQKWBKFITWDRUPK-CHHVJCJISA-N
XLogP2.79
TPSA100.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze 4-chloro-2-nitro-6-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-nitro-6-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-chloro-2-nitro-6-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenol (CID 135510999) is 4-chloro-2-nitro-6-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-chloro-2-nitro-6-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-chloro-2-nitro-6-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenol is O=[N+]([O-])c1cc(Cl)cc(/C=N\Nc2ccccn2)c1O.
What is the InChIKey of 4-chloro-2-nitro-6-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is QKWBKFITWDRUPK-CHHVJCJISA-N. The full InChI is InChI=1S/C12H9ClN4O3/c13-9-5-8(12(18)10(6-9)17(19)20)7-15-16-11-3-1-2-4-14-11/h1-7,18H,(H,14,16)/b15-7-.
What are the key properties of 4-chloro-2-nitro-6-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
4-chloro-2-nitro-6-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 292.68 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-nitro-6-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135510999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).