ethyl 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxylate

C10H8ClFN2O2 — CID 71742470

IUPACethyl 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1cnn2cc(F)cc2c1Cl
InChIInChI=1S/C10H8ClFN2O2/c1-2-16-10(15)7-4-13-14-5-6(12)3-8(14)9(7)11/h3-5H,2H2,1H3
InChIKeyKEUHYHFMJPZHEM-UHFFFAOYSA-N
MW242.64 g/mol
LogP2.30
Rot. Bonds2

About ethyl 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxylate

ethyl 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxylate (PubChem CID 71742470) has the molecular formula C10H8ClFN2O2 and a molecular weight of 242.64 g/mol. Its IUPAC name is ethyl 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxylate
PubChem CID71742470
Molecular FormulaC10H8ClFN2O2
Molecular Weight242.64 g/mol
Exact Mass242.03
IUPAC Nameethyl 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1cnn2cc(F)cc2c1Cl
InChIInChI=1S/C10H8ClFN2O2/c1-2-16-10(15)7-4-13-14-5-6(12)3-8(14)9(7)11/h3-5H,2H2,1H3
InChIKeyKEUHYHFMJPZHEM-UHFFFAOYSA-N
XLogP2.30
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxylate?
The IUPAC name of ethyl 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxylate (CID 71742470) is ethyl 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxylate is CCOC(=O)c1cnn2cc(F)cc2c1Cl.
What is the InChIKey of ethyl 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxylate?
The InChIKey is KEUHYHFMJPZHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O2/c1-2-16-10(15)7-4-13-14-5-6(12)3-8(14)9(7)11/h3-5H,2H2,1H3.
What are the key properties of ethyl 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxylate?
ethyl 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxylate has a molecular weight of 242.64 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxylate is sourced from PubChem (CID 71742470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).