7-chloro-4-oxo-5H-furo[2,3-d]pyridazine-2-carboxylic acid

C7H3ClN2O4 — CID 90448542

IUPAC7-chloro-4-oxo-5H-furo[2,3-d]pyridazine-2-carboxylic acid
SMILESO=C(O)c1cc2c(=O)[nH]nc(Cl)c2o1
InChIInChI=1S/C7H3ClN2O4/c8-5-4-2(6(11)10-9-5)1-3(14-4)7(12)13/h1H,(H,10,11)(H,12,13)
InChIKeyWTLVYRHMYZZQCY-UHFFFAOYSA-N
MW214.56 g/mol
LogP0.87
Rot. Bonds1

About 7-chloro-4-oxo-5H-furo[2,3-d]pyridazine-2-carboxylic acid

7-chloro-4-oxo-5H-furo[2,3-d]pyridazine-2-carboxylic acid (PubChem CID 90448542) has the molecular formula C7H3ClN2O4 and a molecular weight of 214.56 g/mol. Its IUPAC name is 7-chloro-4-oxo-5H-furo[2,3-d]pyridazine-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-4-oxo-5H-furo[2,3-d]pyridazine-2-carboxylic acid
PubChem CID90448542
Molecular FormulaC7H3ClN2O4
Molecular Weight214.56 g/mol
Exact Mass213.98
IUPAC Name7-chloro-4-oxo-5H-furo[2,3-d]pyridazine-2-carboxylic acid
SMILESO=C(O)c1cc2c(=O)[nH]nc(Cl)c2o1
InChIInChI=1S/C7H3ClN2O4/c8-5-4-2(6(11)10-9-5)1-3(14-4)7(12)13/h1H,(H,10,11)(H,12,13)
InChIKeyWTLVYRHMYZZQCY-UHFFFAOYSA-N
XLogP0.87
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.56
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-oxo-5H-furo[2,3-d]pyridazine-2-carboxylic acid?
The IUPAC name of 7-chloro-4-oxo-5H-furo[2,3-d]pyridazine-2-carboxylic acid (CID 90448542) is 7-chloro-4-oxo-5H-furo[2,3-d]pyridazine-2-carboxylic acid.
What is the SMILES notation for 7-chloro-4-oxo-5H-furo[2,3-d]pyridazine-2-carboxylic acid?
The canonical SMILES for 7-chloro-4-oxo-5H-furo[2,3-d]pyridazine-2-carboxylic acid is O=C(O)c1cc2c(=O)[nH]nc(Cl)c2o1.
What is the InChIKey of 7-chloro-4-oxo-5H-furo[2,3-d]pyridazine-2-carboxylic acid?
The InChIKey is WTLVYRHMYZZQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN2O4/c8-5-4-2(6(11)10-9-5)1-3(14-4)7(12)13/h1H,(H,10,11)(H,12,13).
What are the key properties of 7-chloro-4-oxo-5H-furo[2,3-d]pyridazine-2-carboxylic acid?
7-chloro-4-oxo-5H-furo[2,3-d]pyridazine-2-carboxylic acid has a molecular weight of 214.56 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-oxo-5H-furo[2,3-d]pyridazine-2-carboxylic acid is sourced from PubChem (CID 90448542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).