ethyl 6-bromo-3-methylpyridazine-4-carboxylate

C8H9BrN2O2 — CID 162520168

IUPACethyl 6-bromo-3-methylpyridazine-4-carboxylate
SMILESCCOC(=O)c1cc(Br)nnc1C
InChIInChI=1S/C8H9BrN2O2/c1-3-13-8(12)6-4-7(9)11-10-5(6)2/h4H,3H2,1-2H3
InChIKeyHHFBKYRVOUPXFY-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.72
Rot. Bonds2

About ethyl 6-bromo-3-methylpyridazine-4-carboxylate

ethyl 6-bromo-3-methylpyridazine-4-carboxylate (PubChem CID 162520168) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is ethyl 6-bromo-3-methylpyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-3-methylpyridazine-4-carboxylate
PubChem CID162520168
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Nameethyl 6-bromo-3-methylpyridazine-4-carboxylate
SMILESCCOC(=O)c1cc(Br)nnc1C
InChIInChI=1S/C8H9BrN2O2/c1-3-13-8(12)6-4-7(9)11-10-5(6)2/h4H,3H2,1-2H3
InChIKeyHHFBKYRVOUPXFY-UHFFFAOYSA-N
XLogP1.72
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 3,6-dimethylpyridazine-4-carboxylate
CID 104671102
ethyl 2,5-dibromo-4-propanoylbenzoate
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CID 79016537
ethyl 5,6-diamino-2-methylpyridine-3-carboxylate
CID 170959467
ethyl 2-bromo-5-ethylbenzoate
CID 91882232
ethyl 2-bromo-5-(tribromomethyl)pyridine-3-carboxylate
CID 12919744
ethyl 2,5-dibromopyridine-3-carboxylate
CID 46311328
ethyl 6-bromo-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 86703418
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 2-bromo-4-fluoro-5-hydroxybenzoate
CID 131016117
ethyl 2-bromo-5-(bromomethyl)benzoate
CID 70701035
ethyl 2-bromo-5-methoxybenzoate
CID 43389585

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-3-methylpyridazine-4-carboxylate?
The IUPAC name of ethyl 6-bromo-3-methylpyridazine-4-carboxylate (CID 162520168) is ethyl 6-bromo-3-methylpyridazine-4-carboxylate.
What is the SMILES notation for ethyl 6-bromo-3-methylpyridazine-4-carboxylate?
The canonical SMILES for ethyl 6-bromo-3-methylpyridazine-4-carboxylate is CCOC(=O)c1cc(Br)nnc1C.
What is the InChIKey of ethyl 6-bromo-3-methylpyridazine-4-carboxylate?
The InChIKey is HHFBKYRVOUPXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-3-13-8(12)6-4-7(9)11-10-5(6)2/h4H,3H2,1-2H3.
What are the key properties of ethyl 6-bromo-3-methylpyridazine-4-carboxylate?
ethyl 6-bromo-3-methylpyridazine-4-carboxylate has a molecular weight of 245.08 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-3-methylpyridazine-4-carboxylate is sourced from PubChem (CID 162520168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).