methyl 3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate

C9H9ClN2O2 — CID 131335011

IUPACmethyl 3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate
SMILESCOC(=O)c1c(Cl)nnc2c1CCC2
InChIInChI=1S/C9H9ClN2O2/c1-14-9(13)7-5-3-2-4-6(5)11-12-8(7)10/h2-4H2,1H3
InChIKeyRZDZFVGCJDGSLT-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.41
Rot. Bonds1

About methyl 3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate

methyl 3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate (PubChem CID 131335011) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is methyl 3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate
PubChem CID131335011
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Namemethyl 3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate
SMILESCOC(=O)c1c(Cl)nnc2c1CCC2
InChIInChI=1S/C9H9ClN2O2/c1-14-9(13)7-5-3-2-4-6(5)11-12-8(7)10/h2-4H2,1H3
InChIKeyRZDZFVGCJDGSLT-UHFFFAOYSA-N
XLogP1.41
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate 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

methyl 3-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate
CID 115018976
1-(3-methoxy-5,6,7,8-tetrahydrocinnolin-4-yl)ethanone
CID 170027239
methyl 3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate
CID 167866988
methyl 4,6-dichloro-2-[(S)-methylsulfinyl]pyrimidine-5-carboxylate
CID 97114154
methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate
CID 115022124
3-(3-chloro-2-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylic acid
CID 162357721
methyl 3-chloro-2-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxylate
CID 171787690
methyl 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate
CID 89272080
methyl 2,3,4,5,6-pentachlorobenzoate
CID 12827694
methyl 3-chloro-2-methoxy-5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylate
CID 171787922
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
methyl 6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine-3-carboxylate
CID 101416291

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate?
The IUPAC name of methyl 3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate (CID 131335011) is methyl 3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate.
What is the SMILES notation for methyl 3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate?
The canonical SMILES for methyl 3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate is COC(=O)c1c(Cl)nnc2c1CCC2.
What is the InChIKey of methyl 3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate?
The InChIKey is RZDZFVGCJDGSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-14-9(13)7-5-3-2-4-6(5)11-12-8(7)10/h2-4H2,1H3.
What are the key properties of methyl 3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate?
methyl 3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate has a molecular weight of 212.64 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate is sourced from PubChem (CID 131335011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).