2-(3-bromo-4-oxothieno[2,3-d]pyridazin-5-yl)acetaldehyde

C8H5BrN2O2S — CID 154954769

IUPAC2-(3-bromo-4-oxothieno[2,3-d]pyridazin-5-yl)acetaldehyde
SMILESO=CCn1ncc2scc(Br)c2c1=O
InChIInChI=1S/C8H5BrN2O2S/c9-5-4-14-6-3-10-11(1-2-12)8(13)7(5)6/h2-4H,1H2
InChIKeySVQNTPGVVMNHGP-UHFFFAOYSA-N
MW273.11 g/mol
LogP1.42
Rot. Bonds2

About 2-(3-bromo-4-oxothieno[2,3-d]pyridazin-5-yl)acetaldehyde

2-(3-bromo-4-oxothieno[2,3-d]pyridazin-5-yl)acetaldehyde (PubChem CID 154954769) has the molecular formula C8H5BrN2O2S and a molecular weight of 273.11 g/mol. Its IUPAC name is 2-(3-bromo-4-oxothieno[2,3-d]pyridazin-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-bromo-4-oxothieno[2,3-d]pyridazin-5-yl)acetaldehyde
PubChem CID154954769
Molecular FormulaC8H5BrN2O2S
Molecular Weight273.11 g/mol
Exact Mass271.93
IUPAC Name2-(3-bromo-4-oxothieno[2,3-d]pyridazin-5-yl)acetaldehyde
SMILESO=CCn1ncc2scc(Br)c2c1=O
InChIInChI=1S/C8H5BrN2O2S/c9-5-4-14-6-3-10-11(1-2-12)8(13)7(5)6/h2-4H,1H2
InChIKeySVQNTPGVVMNHGP-UHFFFAOYSA-N
XLogP1.42
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-Bromo-5-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyridazin-4-one
CID 129219787
3-Bromo-5-[2-(3,3-difluorocyclobutyl)-2-oxoethyl]thieno[2,3-d]pyridazin-4-one
CID 167319498
3-Bromo-5-[(2,2-difluorocyclopropyl)methyl]thieno[2,3-d]pyridazin-4-one
CID 169964646
3-Bromo-5-(1,1,1-trifluoropropan-2-yl)thieno[2,3-d]pyridazin-4-one
CID 171436864
3-Bromo-5-(2,2,2-trifluoroethyl)thieno[2,3-d]pyridazin-4-one
CID 171437508
2-(3-Bromo-4-oxothieno[2,3-d]pyridazin-5-yl)acetic acid
CID 129219626
3-Bromo-5-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyridazin-4-one
CID 129219723
Ethyl 2-(3-bromo-4-oxothieno[2,3-d]pyridazin-5-yl)acetate
CID 129219856
2-(3-Bromo-4-oxothieno[3,2-c]pyridin-5-yl)acetaldehyde
CID 129227138
3-Bromo-5-ethylthieno[2,3-d]pyridazin-4-one
CID 169964226
3-Bromo-5-(2-methoxyethyl)thieno[2,3-d]pyridazin-4-one
CID 169964299
3-Bromo-5-butan-2-ylthieno[2,3-d]pyridazin-4-one
CID 169964383

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-oxothieno[2,3-d]pyridazin-5-yl)acetaldehyde?
The IUPAC name of 2-(3-bromo-4-oxothieno[2,3-d]pyridazin-5-yl)acetaldehyde (CID 154954769) is 2-(3-bromo-4-oxothieno[2,3-d]pyridazin-5-yl)acetaldehyde.
What is the SMILES notation for 2-(3-bromo-4-oxothieno[2,3-d]pyridazin-5-yl)acetaldehyde?
The canonical SMILES for 2-(3-bromo-4-oxothieno[2,3-d]pyridazin-5-yl)acetaldehyde is O=CCn1ncc2scc(Br)c2c1=O.
What is the InChIKey of 2-(3-bromo-4-oxothieno[2,3-d]pyridazin-5-yl)acetaldehyde?
The InChIKey is SVQNTPGVVMNHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2S/c9-5-4-14-6-3-10-11(1-2-12)8(13)7(5)6/h2-4H,1H2.
What are the key properties of 2-(3-bromo-4-oxothieno[2,3-d]pyridazin-5-yl)acetaldehyde?
2-(3-bromo-4-oxothieno[2,3-d]pyridazin-5-yl)acetaldehyde has a molecular weight of 273.11 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-oxothieno[2,3-d]pyridazin-5-yl)acetaldehyde is sourced from PubChem (CID 154954769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).