3-pyridazin-3-yloxetane-3-carboxylic acid

C8H8N2O3 — CID 82409220

IUPAC3-pyridazin-3-yloxetane-3-carboxylic acid
SMILESO=C(O)C1(c2cccnn2)COC1
InChIInChI=1S/C8H8N2O3/c11-7(12)8(4-13-5-8)6-2-1-3-9-10-6/h1-3H,4-5H2,(H,11,12)
InChIKeyAOCANXUPTPBRBB-UHFFFAOYSA-N
MW180.16 g/mol
LogP-0.17
Rot. Bonds2

About 3-pyridazin-3-yloxetane-3-carboxylic acid

3-pyridazin-3-yloxetane-3-carboxylic acid (PubChem CID 82409220) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 3-pyridazin-3-yloxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-pyridazin-3-yloxetane-3-carboxylic acid
PubChem CID82409220
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name3-pyridazin-3-yloxetane-3-carboxylic acid
SMILESO=C(O)C1(c2cccnn2)COC1
InChIInChI=1S/C8H8N2O3/c11-7(12)8(4-13-5-8)6-2-1-3-9-10-6/h1-3H,4-5H2,(H,11,12)
InChIKeyAOCANXUPTPBRBB-UHFFFAOYSA-N
XLogP-0.17
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyrimidin-4-yloxetane-3-carboxylic acid
CID 82409246
3-(5-methylpyrazin-2-yl)oxetane-3-carboxylic acid
CID 82401450
1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
CID 56604209
3-(2-bromoquinolin-3-yl)oxetane-3-carboxylic acid
CID 116985384
3-(2-chloroquinolin-3-yl)oxetane-3-carboxylic acid
CID 116985262
3-(2-propan-2-ylphenyl)oxetane-3-carboxylic acid
CID 167456442
4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid
CID 83707122
3-(4-pyridin-4-ylpyrimidin-2-yl)oxetane-3-carboxylic acid
CID 116902900
3-[methyl(pyridin-3-yl)carbamoyl]oxetane-3-carboxylic acid
CID 115184956
3-(3-methyl-1,2,4-oxadiazol-5-yl)oxetane-3-carboxylic acid
CID 82406840
3-fluoropyridazine;oxalic acid
CID 175339243
3-[5-(4-bromophenyl)-1H-imidazol-2-yl]oxetane-3-carboxylic acid
CID 116882604

Frequently Asked Questions

What is the IUPAC name of 3-pyridazin-3-yloxetane-3-carboxylic acid?
The IUPAC name of 3-pyridazin-3-yloxetane-3-carboxylic acid (CID 82409220) is 3-pyridazin-3-yloxetane-3-carboxylic acid.
What is the SMILES notation for 3-pyridazin-3-yloxetane-3-carboxylic acid?
The canonical SMILES for 3-pyridazin-3-yloxetane-3-carboxylic acid is O=C(O)C1(c2cccnn2)COC1.
What is the InChIKey of 3-pyridazin-3-yloxetane-3-carboxylic acid?
The InChIKey is AOCANXUPTPBRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c11-7(12)8(4-13-5-8)6-2-1-3-9-10-6/h1-3H,4-5H2,(H,11,12).
What are the key properties of 3-pyridazin-3-yloxetane-3-carboxylic acid?
3-pyridazin-3-yloxetane-3-carboxylic acid has a molecular weight of 180.16 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridazin-3-yloxetane-3-carboxylic acid is sourced from PubChem (CID 82409220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).