4-chloro-2-methylpyrrolo[1,2-b]pyridazine-7-carbaldehyde;methoxymethane

C11H13ClN2O2 — CID 171568575

IUPAC4-chloro-2-methylpyrrolo[1,2-b]pyridazine-7-carbaldehyde;methoxymethane
SMILESCOC.Cc1cc(Cl)c2ccc(C=O)n2n1
InChIInChI=1S/C9H7ClN2O.C2H6O/c1-6-4-8(10)9-3-2-7(5-13)12(9)11-6;1-3-2/h2-5H,1H3;1-2H3
InChIKeyMTUQTKKQHJYUKB-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.37
Rot. Bonds1

About 4-chloro-2-methylpyrrolo[1,2-b]pyridazine-7-carbaldehyde;methoxymethane

4-chloro-2-methylpyrrolo[1,2-b]pyridazine-7-carbaldehyde;methoxymethane (PubChem CID 171568575) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-chloro-2-methylpyrrolo[1,2-b]pyridazine-7-carbaldehyde;methoxymethane.

Molecular Properties

Compound Name4-chloro-2-methylpyrrolo[1,2-b]pyridazine-7-carbaldehyde;methoxymethane
PubChem CID171568575
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name4-chloro-2-methylpyrrolo[1,2-b]pyridazine-7-carbaldehyde;methoxymethane
SMILESCOC.Cc1cc(Cl)c2ccc(C=O)n2n1
InChIInChI=1S/C9H7ClN2O.C2H6O/c1-6-4-8(10)9-3-2-7(5-13)12(9)11-6;1-3-2/h2-5H,1H3;1-2H3
InChIKeyMTUQTKKQHJYUKB-UHFFFAOYSA-N
XLogP2.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-chloro-2-methylpyrrolo[1,2-b]pyridazine-7-carbaldehyde;methoxymethane with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-4-(methylamino)pyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde
CID 166941626
methyl 7-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 84690112
2-(2-methoxyethyl)-5-methylpyrazole-3-carbaldehyde
CID 91803752
6,9-dichloro-3-methylpyrazolo[1,5-f]phenanthridine-2-carbaldehyde
CID 88967161
4-(6-chloro-5-methoxypyridazin-3-yl)benzaldehyde
CID 157022258
5-chloro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde
CID 84665767
1-acetyl-3-chloroindazole-5-carbaldehyde
CID 90697455
7,8-dichloro-4-phenylpyrrolo[1,2-a]quinoxaline-1-carbaldehyde
CID 10688566
5-methyl-2-propylpyrazole-3-carbaldehyde
CID 102538374
5-chloro-1,3-dimethylindazole-4-carbaldehyde
CID 117109564
2-hexyl-5-methylpyrazole-3-carbaldehyde
CID 139675232
2-heptyl-5-methylpyrazole-3-carbaldehyde
CID 139675296

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylpyrrolo[1,2-b]pyridazine-7-carbaldehyde;methoxymethane?
The IUPAC name of 4-chloro-2-methylpyrrolo[1,2-b]pyridazine-7-carbaldehyde;methoxymethane (CID 171568575) is 4-chloro-2-methylpyrrolo[1,2-b]pyridazine-7-carbaldehyde;methoxymethane.
What is the SMILES notation for 4-chloro-2-methylpyrrolo[1,2-b]pyridazine-7-carbaldehyde;methoxymethane?
The canonical SMILES for 4-chloro-2-methylpyrrolo[1,2-b]pyridazine-7-carbaldehyde;methoxymethane is COC.Cc1cc(Cl)c2ccc(C=O)n2n1.
What is the InChIKey of 4-chloro-2-methylpyrrolo[1,2-b]pyridazine-7-carbaldehyde;methoxymethane?
The InChIKey is MTUQTKKQHJYUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O.C2H6O/c1-6-4-8(10)9-3-2-7(5-13)12(9)11-6;1-3-2/h2-5H,1H3;1-2H3.
What are the key properties of 4-chloro-2-methylpyrrolo[1,2-b]pyridazine-7-carbaldehyde;methoxymethane?
4-chloro-2-methylpyrrolo[1,2-b]pyridazine-7-carbaldehyde;methoxymethane has a molecular weight of 240.69 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylpyrrolo[1,2-b]pyridazine-7-carbaldehyde;methoxymethane is sourced from PubChem (CID 171568575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).