6-(2,6-dichloro-4-hydrazinylphenoxy)-4-propan-2-yl-2H-pyridin-3-one

C14H15Cl2N3O2 — CID 163471632

IUPAC6-(2,6-dichloro-4-hydrazinylphenoxy)-4-propan-2-yl-2H-pyridin-3-one
SMILESCC(C)C1=CC(Oc2c(Cl)cc(NN)cc2Cl)=NCC1=O
InChIInChI=1S/C14H15Cl2N3O2/c1-7(2)9-5-13(18-6-12(9)20)21-14-10(15)3-8(19-17)4-11(14)16/h3-5,7,19H,6,17H2,1-2H3
InChIKeyCAXCOVRKQMZIQR-UHFFFAOYSA-N
MW328.20 g/mol
LogP3.22
Rot. Bonds3

About 6-(2,6-dichloro-4-hydrazinylphenoxy)-4-propan-2-yl-2H-pyridin-3-one

6-(2,6-dichloro-4-hydrazinylphenoxy)-4-propan-2-yl-2H-pyridin-3-one (PubChem CID 163471632) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 6-(2,6-dichloro-4-hydrazinylphenoxy)-4-propan-2-yl-2H-pyridin-3-one.

Molecular Properties

Compound Name6-(2,6-dichloro-4-hydrazinylphenoxy)-4-propan-2-yl-2H-pyridin-3-one
PubChem CID163471632
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name6-(2,6-dichloro-4-hydrazinylphenoxy)-4-propan-2-yl-2H-pyridin-3-one
SMILESCC(C)C1=CC(Oc2c(Cl)cc(NN)cc2Cl)=NCC1=O
InChIInChI=1S/C14H15Cl2N3O2/c1-7(2)9-5-13(18-6-12(9)20)21-14-10(15)3-8(19-17)4-11(14)16/h3-5,7,19H,6,17H2,1-2H3
InChIKeyCAXCOVRKQMZIQR-UHFFFAOYSA-N
XLogP3.22
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(2,6-dichloro-4-hydrazinylphenoxy)-4-propan-2-yl-2H-pyridin-3-one 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 6-(2,6-dichloro-4-hydrazinylphenoxy)-4-propan-2-yl-2H-pyridin-3-one?
The IUPAC name of 6-(2,6-dichloro-4-hydrazinylphenoxy)-4-propan-2-yl-2H-pyridin-3-one (CID 163471632) is 6-(2,6-dichloro-4-hydrazinylphenoxy)-4-propan-2-yl-2H-pyridin-3-one.
What is the SMILES notation for 6-(2,6-dichloro-4-hydrazinylphenoxy)-4-propan-2-yl-2H-pyridin-3-one?
The canonical SMILES for 6-(2,6-dichloro-4-hydrazinylphenoxy)-4-propan-2-yl-2H-pyridin-3-one is CC(C)C1=CC(Oc2c(Cl)cc(NN)cc2Cl)=NCC1=O.
What is the InChIKey of 6-(2,6-dichloro-4-hydrazinylphenoxy)-4-propan-2-yl-2H-pyridin-3-one?
The InChIKey is CAXCOVRKQMZIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c1-7(2)9-5-13(18-6-12(9)20)21-14-10(15)3-8(19-17)4-11(14)16/h3-5,7,19H,6,17H2,1-2H3.
What are the key properties of 6-(2,6-dichloro-4-hydrazinylphenoxy)-4-propan-2-yl-2H-pyridin-3-one?
6-(2,6-dichloro-4-hydrazinylphenoxy)-4-propan-2-yl-2H-pyridin-3-one has a molecular weight of 328.20 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloro-4-hydrazinylphenoxy)-4-propan-2-yl-2H-pyridin-3-one is sourced from PubChem (CID 163471632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).