6-methylpyridazine-4-carboxylic acid

C6H6N2O2 — CID 55300768

IUPAC6-methylpyridazine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cnn1
InChIInChI=1S/C6H6N2O2/c1-4-2-5(6(9)10)3-7-8-4/h2-3H,1H3,(H,9,10)
InChIKeyUMVDJTLECBAYCO-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.48
Rot. Bonds1

About 6-methylpyridazine-4-carboxylic acid

6-methylpyridazine-4-carboxylic acid (PubChem CID 55300768) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 6-methylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-methylpyridazine-4-carboxylic acid
PubChem CID55300768
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name6-methylpyridazine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cnn1
InChIInChI=1S/C6H6N2O2/c1-4-2-5(6(9)10)3-7-8-4/h2-3H,1H3,(H,9,10)
InChIKeyUMVDJTLECBAYCO-UHFFFAOYSA-N
XLogP0.48
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylpyridazine-4-carboxylic acid?
The IUPAC name of 6-methylpyridazine-4-carboxylic acid (CID 55300768) is 6-methylpyridazine-4-carboxylic acid.
What is the SMILES notation for 6-methylpyridazine-4-carboxylic acid?
The canonical SMILES for 6-methylpyridazine-4-carboxylic acid is Cc1cc(C(=O)O)cnn1.
What is the InChIKey of 6-methylpyridazine-4-carboxylic acid?
The InChIKey is UMVDJTLECBAYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c1-4-2-5(6(9)10)3-7-8-4/h2-3H,1H3,(H,9,10).
What are the key properties of 6-methylpyridazine-4-carboxylic acid?
6-methylpyridazine-4-carboxylic acid has a molecular weight of 138.13 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyridazine-4-carboxylic acid is sourced from PubChem (CID 55300768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).