acetic acid;pyridazine-3-carboxylic acid

C7H8N2O4 — CID 162329499

IUPACacetic acid;pyridazine-3-carboxylic acid
SMILESCC(=O)O.O=C(O)c1cccnn1
InChIInChI=1S/C5H4N2O2.C2H4O2/c8-5(9)4-2-1-3-6-7-4;1-2(3)4/h1-3H,(H,8,9);1H3,(H,3,4)
InChIKeyRUYXWVRKMNFQCA-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.27
Rot. Bonds1

About acetic acid;pyridazine-3-carboxylic acid

acetic acid;pyridazine-3-carboxylic acid (PubChem CID 162329499) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is acetic acid;pyridazine-3-carboxylic acid.

Molecular Properties

Compound Nameacetic acid;pyridazine-3-carboxylic acid
PubChem CID162329499
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Nameacetic acid;pyridazine-3-carboxylic acid
SMILESCC(=O)O.O=C(O)c1cccnn1
InChIInChI=1S/C5H4N2O2.C2H4O2/c8-5(9)4-2-1-3-6-7-4;1-2(3)4/h1-3H,(H,8,9);1H3,(H,3,4)
InChIKeyRUYXWVRKMNFQCA-UHFFFAOYSA-N
XLogP0.27
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetic acid;pyridazine-3-carboxylic acid?
The IUPAC name of acetic acid;pyridazine-3-carboxylic acid (CID 162329499) is acetic acid;pyridazine-3-carboxylic acid.
What is the SMILES notation for acetic acid;pyridazine-3-carboxylic acid?
The canonical SMILES for acetic acid;pyridazine-3-carboxylic acid is CC(=O)O.O=C(O)c1cccnn1.
What is the InChIKey of acetic acid;pyridazine-3-carboxylic acid?
The InChIKey is RUYXWVRKMNFQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2.C2H4O2/c8-5(9)4-2-1-3-6-7-4;1-2(3)4/h1-3H,(H,8,9);1H3,(H,3,4).
What are the key properties of acetic acid;pyridazine-3-carboxylic acid?
acetic acid;pyridazine-3-carboxylic acid has a molecular weight of 184.15 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;pyridazine-3-carboxylic acid is sourced from PubChem (CID 162329499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).