3-(5-bromofuran-2-yl)-6-oxo-1H-pyridazine-5-carboxylic acid

C9H5BrN2O4 — CID 117127210

IUPAC3-(5-bromofuran-2-yl)-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Br)o2)n[nH]c1=O
InChIInChI=1S/C9H5BrN2O4/c10-7-2-1-6(16-7)5-3-4(9(14)15)8(13)12-11-5/h1-3H,(H,12,13)(H,14,15)
InChIKeyMIHQGVNWMXKYMZ-UHFFFAOYSA-N
MW285.05 g/mol
LogP1.49
Rot. Bonds2

About 3-(5-bromofuran-2-yl)-6-oxo-1H-pyridazine-5-carboxylic acid

3-(5-bromofuran-2-yl)-6-oxo-1H-pyridazine-5-carboxylic acid (PubChem CID 117127210) has the molecular formula C9H5BrN2O4 and a molecular weight of 285.05 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-6-oxo-1H-pyridazine-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-6-oxo-1H-pyridazine-5-carboxylic acid
PubChem CID117127210
Molecular FormulaC9H5BrN2O4
Molecular Weight285.05 g/mol
Exact Mass283.94
IUPAC Name3-(5-bromofuran-2-yl)-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Br)o2)n[nH]c1=O
InChIInChI=1S/C9H5BrN2O4/c10-7-2-1-6(16-7)5-3-4(9(14)15)8(13)12-11-5/h1-3H,(H,12,13)(H,14,15)
InChIKeyMIHQGVNWMXKYMZ-UHFFFAOYSA-N
XLogP1.49
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.05
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(5-bromofuran-2-yl)-6-oxo-1H-pyridazine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
CID 104653273
2-(5-bromofuran-2-yl)-5,8-dichloroquinoline-4-carboxylic acid
CID 106988492
2-(5-bromofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 104653272
3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445716
6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid
CID 91392997
3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83646245
3-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 90994241
3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83644193
3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 136660992
3-(3-chloro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 91551362
2-[4-(5-bromofuran-2-yl)-6-oxopyrimidin-1-yl]acetic acid
CID 121205718
6-oxo-3-(4-propan-2-yloxyphenyl)-1H-pyridazine-5-carboxylic acid
CID 82446124

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The IUPAC name of 3-(5-bromofuran-2-yl)-6-oxo-1H-pyridazine-5-carboxylic acid (CID 117127210) is 3-(5-bromofuran-2-yl)-6-oxo-1H-pyridazine-5-carboxylic acid.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The canonical SMILES for 3-(5-bromofuran-2-yl)-6-oxo-1H-pyridazine-5-carboxylic acid is O=C(O)c1cc(-c2ccc(Br)o2)n[nH]c1=O.
What is the InChIKey of 3-(5-bromofuran-2-yl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The InChIKey is MIHQGVNWMXKYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN2O4/c10-7-2-1-6(16-7)5-3-4(9(14)15)8(13)12-11-5/h1-3H,(H,12,13)(H,14,15).
What are the key properties of 3-(5-bromofuran-2-yl)-6-oxo-1H-pyridazine-5-carboxylic acid?
3-(5-bromofuran-2-yl)-6-oxo-1H-pyridazine-5-carboxylic acid has a molecular weight of 285.05 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-6-oxo-1H-pyridazine-5-carboxylic acid is sourced from PubChem (CID 117127210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).