ethyl 6-chloro-5-(2-methylpropyl)pyridazine-3-carboxylate

C11H15ClN2O2 — CID 86628654

IUPACethyl 6-chloro-5-(2-methylpropyl)pyridazine-3-carboxylate
SMILESCCOC(=O)c1cc(CC(C)C)c(Cl)nn1
InChIInChI=1S/C11H15ClN2O2/c1-4-16-11(15)9-6-8(5-7(2)3)10(12)14-13-9/h6-7H,4-5H2,1-3H3
InChIKeyDVTHKALLXDTHBD-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.51
Rot. Bonds4

About ethyl 6-chloro-5-(2-methylpropyl)pyridazine-3-carboxylate

ethyl 6-chloro-5-(2-methylpropyl)pyridazine-3-carboxylate (PubChem CID 86628654) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is ethyl 6-chloro-5-(2-methylpropyl)pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-5-(2-methylpropyl)pyridazine-3-carboxylate
PubChem CID86628654
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Nameethyl 6-chloro-5-(2-methylpropyl)pyridazine-3-carboxylate
SMILESCCOC(=O)c1cc(CC(C)C)c(Cl)nn1
InChIInChI=1S/C11H15ClN2O2/c1-4-16-11(15)9-6-8(5-7(2)3)10(12)14-13-9/h6-7H,4-5H2,1-3H3
InChIKeyDVTHKALLXDTHBD-UHFFFAOYSA-N
XLogP2.51
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 6-chloro-5-(2-methylpropyl)pyridazine-3-carboxylate 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 ethyl 6-chloro-5-(2-methylpropyl)pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-5-(2-methylpropyl)pyridazine-3-carboxylate (CID 86628654) is ethyl 6-chloro-5-(2-methylpropyl)pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-5-(2-methylpropyl)pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-5-(2-methylpropyl)pyridazine-3-carboxylate is CCOC(=O)c1cc(CC(C)C)c(Cl)nn1.
What is the InChIKey of ethyl 6-chloro-5-(2-methylpropyl)pyridazine-3-carboxylate?
The InChIKey is DVTHKALLXDTHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-4-16-11(15)9-6-8(5-7(2)3)10(12)14-13-9/h6-7H,4-5H2,1-3H3.
What are the key properties of ethyl 6-chloro-5-(2-methylpropyl)pyridazine-3-carboxylate?
ethyl 6-chloro-5-(2-methylpropyl)pyridazine-3-carboxylate has a molecular weight of 242.71 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-5-(2-methylpropyl)pyridazine-3-carboxylate is sourced from PubChem (CID 86628654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).