ethyl 6-bromo-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate

C10H9BrN2O3 — CID 146178316

IUPACethyl 6-bromo-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1c[nH]n2cc(Br)cc2c1=O
InChIInChI=1S/C10H9BrN2O3/c1-2-16-10(15)7-4-12-13-5-6(11)3-8(13)9(7)14/h3-5,12H,2H2,1H3
InChIKeyIVSIWQLAKYFPBP-UHFFFAOYSA-N
MW285.10 g/mol
LogP1.57
Rot. Bonds2

About ethyl 6-bromo-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate

ethyl 6-bromo-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate (PubChem CID 146178316) has the molecular formula C10H9BrN2O3 and a molecular weight of 285.10 g/mol. Its IUPAC name is ethyl 6-bromo-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate
PubChem CID146178316
Molecular FormulaC10H9BrN2O3
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Nameethyl 6-bromo-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1c[nH]n2cc(Br)cc2c1=O
InChIInChI=1S/C10H9BrN2O3/c1-2-16-10(15)7-4-12-13-5-6(11)3-8(13)9(7)14/h3-5,12H,2H2,1H3
InChIKeyIVSIWQLAKYFPBP-UHFFFAOYSA-N
XLogP1.57
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-bromo-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate (CID 146178316) is ethyl 6-bromo-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-bromo-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-bromo-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate is CCOC(=O)c1c[nH]n2cc(Br)cc2c1=O.
What is the InChIKey of ethyl 6-bromo-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate?
The InChIKey is IVSIWQLAKYFPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O3/c1-2-16-10(15)7-4-12-13-5-6(11)3-8(13)9(7)14/h3-5,12H,2H2,1H3.
What are the key properties of ethyl 6-bromo-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate?
ethyl 6-bromo-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate has a molecular weight of 285.10 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate is sourced from PubChem (CID 146178316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).