7-chloro-1-methoxypyrido[3,4-d]pyridazine

C8H6ClN3O — CID 156527015

IUPAC7-chloro-1-methoxypyrido[3,4-d]pyridazine
SMILESCOc1nncc2cnc(Cl)cc12
InChIInChI=1S/C8H6ClN3O/c1-13-8-6-2-7(9)10-3-5(6)4-11-12-8/h2-4H,1H3
InChIKeyMRQPIYWLBRGFEX-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.69
Rot. Bonds1

About 7-chloro-1-methoxypyrido[3,4-d]pyridazine

7-chloro-1-methoxypyrido[3,4-d]pyridazine (PubChem CID 156527015) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 7-chloro-1-methoxypyrido[3,4-d]pyridazine.

Molecular Properties

Compound Name7-chloro-1-methoxypyrido[3,4-d]pyridazine
PubChem CID156527015
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name7-chloro-1-methoxypyrido[3,4-d]pyridazine
SMILESCOc1nncc2cnc(Cl)cc12
InChIInChI=1S/C8H6ClN3O/c1-13-8-6-2-7(9)10-3-5(6)4-11-12-8/h2-4H,1H3
InChIKeyMRQPIYWLBRGFEX-UHFFFAOYSA-N
XLogP1.69
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-chloro-1-methoxypyrido[3,4-d]pyridazine 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 7-chloro-1-methoxypyrido[3,4-d]pyridazine?
The IUPAC name of 7-chloro-1-methoxypyrido[3,4-d]pyridazine (CID 156527015) is 7-chloro-1-methoxypyrido[3,4-d]pyridazine.
What is the SMILES notation for 7-chloro-1-methoxypyrido[3,4-d]pyridazine?
The canonical SMILES for 7-chloro-1-methoxypyrido[3,4-d]pyridazine is COc1nncc2cnc(Cl)cc12.
What is the InChIKey of 7-chloro-1-methoxypyrido[3,4-d]pyridazine?
The InChIKey is MRQPIYWLBRGFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c1-13-8-6-2-7(9)10-3-5(6)4-11-12-8/h2-4H,1H3.
What are the key properties of 7-chloro-1-methoxypyrido[3,4-d]pyridazine?
7-chloro-1-methoxypyrido[3,4-d]pyridazine has a molecular weight of 195.61 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methoxypyrido[3,4-d]pyridazine is sourced from PubChem (CID 156527015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).