ethyl 4-chloro-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate

C11H11ClN2O2 — CID 58859633

IUPACethyl 4-chloro-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate
SMILESCCOC(=O)c1cn2nccc(Cl)c2c1C
InChIInChI=1S/C11H11ClN2O2/c1-3-16-11(15)8-6-14-10(7(8)2)9(12)4-5-13-14/h4-6H,3H2,1-2H3
InChIKeyZMJJFQFVQZNCBA-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.47
Rot. Bonds2

About ethyl 4-chloro-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate

ethyl 4-chloro-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate (PubChem CID 58859633) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is ethyl 4-chloro-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate
PubChem CID58859633
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Nameethyl 4-chloro-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate
SMILESCCOC(=O)c1cn2nccc(Cl)c2c1C
InChIInChI=1S/C11H11ClN2O2/c1-3-16-11(15)8-6-14-10(7(8)2)9(12)4-5-13-14/h4-6H,3H2,1-2H3
InChIKeyZMJJFQFVQZNCBA-UHFFFAOYSA-N
XLogP2.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-chloro-8-methylpyrrolo[1,2-a]pyrazine-7-carboxylate
CID 59788143
ethyl imidazo[1,2-b]pyridazine-8-carboxylate
CID 139465945
ethyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboperoxoate
CID 87621136
ethyl 5-amino-1-(2-chlorophenyl)pyrazole-4-carboxylate
CID 3376846
ethyl 2-(6-chloro-2-pyridinyl)pyrazole-3-carboxylate
CID 172719605
ethyl 5-chloro-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 19839439
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 2-(fluoromethyl)pyrazole-3-carboxylate
CID 140995866
ethyl 4-(7-azabicyclo[2.2.1]heptan-7-yl)-3-cyano-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate
CID 21025100
4-(4-amino-3-chlorophenoxy)-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylic acid
CID 178115399
ethyl 2-[2-(2-chlorophenyl)-2-oxoacetyl]benzoate
CID 102105830
ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 22228090

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate?
The IUPAC name of ethyl 4-chloro-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate (CID 58859633) is ethyl 4-chloro-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate.
What is the SMILES notation for ethyl 4-chloro-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate?
The canonical SMILES for ethyl 4-chloro-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate is CCOC(=O)c1cn2nccc(Cl)c2c1C.
What is the InChIKey of ethyl 4-chloro-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate?
The InChIKey is ZMJJFQFVQZNCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-3-16-11(15)8-6-14-10(7(8)2)9(12)4-5-13-14/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 4-chloro-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate?
ethyl 4-chloro-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate has a molecular weight of 238.67 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate is sourced from PubChem (CID 58859633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).