8-chloro-2-[6-(2-hydroxyethoxy)pyridazin-3-yl]chromen-4-one

C15H11ClN2O4 — CID 146510082

IUPAC8-chloro-2-[6-(2-hydroxyethoxy)pyridazin-3-yl]chromen-4-one
SMILESO=c1cc(-c2ccc(OCCO)nn2)oc2c(Cl)cccc12
InChIInChI=1S/C15H11ClN2O4/c16-10-3-1-2-9-12(20)8-13(22-15(9)10)11-4-5-14(18-17-11)21-7-6-19/h1-5,8,19H,6-7H2
InChIKeyWYZGIESSZMDXOB-UHFFFAOYSA-N
MW318.72 g/mol
LogP2.27
Rot. Bonds4

About 8-chloro-2-[6-(2-hydroxyethoxy)pyridazin-3-yl]chromen-4-one

8-chloro-2-[6-(2-hydroxyethoxy)pyridazin-3-yl]chromen-4-one (PubChem CID 146510082) has the molecular formula C15H11ClN2O4 and a molecular weight of 318.72 g/mol. Its IUPAC name is 8-chloro-2-[6-(2-hydroxyethoxy)pyridazin-3-yl]chromen-4-one.

Molecular Properties

Compound Name8-chloro-2-[6-(2-hydroxyethoxy)pyridazin-3-yl]chromen-4-one
PubChem CID146510082
Molecular FormulaC15H11ClN2O4
Molecular Weight318.72 g/mol
Exact Mass318.04
IUPAC Name8-chloro-2-[6-(2-hydroxyethoxy)pyridazin-3-yl]chromen-4-one
SMILESO=c1cc(-c2ccc(OCCO)nn2)oc2c(Cl)cccc12
InChIInChI=1S/C15H11ClN2O4/c16-10-3-1-2-9-12(20)8-13(22-15(9)10)11-4-5-14(18-17-11)21-7-6-19/h1-5,8,19H,6-7H2
InChIKeyWYZGIESSZMDXOB-UHFFFAOYSA-N
XLogP2.27
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.72
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-chloro-2-[6-(2-hydroxyethoxy)pyridazin-3-yl]chromen-4-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 8-chloro-2-[6-(2-hydroxyethoxy)pyridazin-3-yl]chromen-4-one?
The IUPAC name of 8-chloro-2-[6-(2-hydroxyethoxy)pyridazin-3-yl]chromen-4-one (CID 146510082) is 8-chloro-2-[6-(2-hydroxyethoxy)pyridazin-3-yl]chromen-4-one.
What is the SMILES notation for 8-chloro-2-[6-(2-hydroxyethoxy)pyridazin-3-yl]chromen-4-one?
The canonical SMILES for 8-chloro-2-[6-(2-hydroxyethoxy)pyridazin-3-yl]chromen-4-one is O=c1cc(-c2ccc(OCCO)nn2)oc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-2-[6-(2-hydroxyethoxy)pyridazin-3-yl]chromen-4-one?
The InChIKey is WYZGIESSZMDXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O4/c16-10-3-1-2-9-12(20)8-13(22-15(9)10)11-4-5-14(18-17-11)21-7-6-19/h1-5,8,19H,6-7H2.
What are the key properties of 8-chloro-2-[6-(2-hydroxyethoxy)pyridazin-3-yl]chromen-4-one?
8-chloro-2-[6-(2-hydroxyethoxy)pyridazin-3-yl]chromen-4-one has a molecular weight of 318.72 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[6-(2-hydroxyethoxy)pyridazin-3-yl]chromen-4-one is sourced from PubChem (CID 146510082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).