6-oxo-1-pyridin-2-yl-4,5-dihydropyridazine-3-carboxylic acid

C10H9N3O3 — CID 3707613

IUPAC6-oxo-1-pyridin-2-yl-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(c2ccccn2)C(=O)CC1
InChIInChI=1S/C10H9N3O3/c14-9-5-4-7(10(15)16)12-13(9)8-3-1-2-6-11-8/h1-3,6H,4-5H2,(H,15,16)
InChIKeyFELAKSGKJCUIKP-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.65
Rot. Bonds2

About 6-oxo-1-pyridin-2-yl-4,5-dihydropyridazine-3-carboxylic acid

6-oxo-1-pyridin-2-yl-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 3707613) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 6-oxo-1-pyridin-2-yl-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-pyridin-2-yl-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID3707613
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name6-oxo-1-pyridin-2-yl-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(c2ccccn2)C(=O)CC1
InChIInChI=1S/C10H9N3O3/c14-9-5-4-7(10(15)16)12-13(9)8-3-1-2-6-11-8/h1-3,6H,4-5H2,(H,15,16)
InChIKeyFELAKSGKJCUIKP-UHFFFAOYSA-N
XLogP0.65
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-pyridin-2-yl-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-pyridin-2-yl-4,5-dihydropyridazine-3-carboxylic acid (CID 3707613) is 6-oxo-1-pyridin-2-yl-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-pyridin-2-yl-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-pyridin-2-yl-4,5-dihydropyridazine-3-carboxylic acid is O=C(O)C1=NN(c2ccccn2)C(=O)CC1.
What is the InChIKey of 6-oxo-1-pyridin-2-yl-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is FELAKSGKJCUIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c14-9-5-4-7(10(15)16)12-13(9)8-3-1-2-6-11-8/h1-3,6H,4-5H2,(H,15,16).
What are the key properties of 6-oxo-1-pyridin-2-yl-4,5-dihydropyridazine-3-carboxylic acid?
6-oxo-1-pyridin-2-yl-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-pyridin-2-yl-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 3707613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).