3-fluoropyridazine;oxalic acid

C6H5FN2O4 — CID 175339243

IUPAC3-fluoropyridazine;oxalic acid
SMILESFc1cccnn1.O=C(O)C(=O)O
InChIInChI=1S/C4H3FN2.C2H2O4/c5-4-2-1-3-6-7-4;3-1(4)2(5)6/h1-3H;(H,3,4)(H,5,6)
InChIKeyOCXBIVYMNBWPEW-UHFFFAOYSA-N
MW188.11 g/mol
LogP-0.23
Rot. Bonds

About 3-fluoropyridazine;oxalic acid

3-fluoropyridazine;oxalic acid (PubChem CID 175339243) has the molecular formula C6H5FN2O4 and a molecular weight of 188.11 g/mol. Its IUPAC name is 3-fluoropyridazine;oxalic acid.

Molecular Properties

Compound Name3-fluoropyridazine;oxalic acid
PubChem CID175339243
Molecular FormulaC6H5FN2O4
Molecular Weight188.11 g/mol
Exact Mass188.02
IUPAC Name3-fluoropyridazine;oxalic acid
SMILESFc1cccnn1.O=C(O)C(=O)O
InChIInChI=1S/C4H3FN2.C2H2O4/c5-4-2-1-3-6-7-4;3-1(4)2(5)6/h1-3H;(H,3,4)(H,5,6)
InChIKeyOCXBIVYMNBWPEW-UHFFFAOYSA-N
XLogP-0.23
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 118989539
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amino(pyridazin-3-yl)carbamic acid
CID 174865734
pyridazin-3-ylurea
CID 13080987
N-phenylpyridazine-3-carboxamide
CID 23633015
2-pyridazin-3-ylbenzoic acid
CID 68896224
5-fluoro-2-pyridazin-3-yloxybenzoic acid
CID 115298215
2-methyl-2-pyridazin-3-ylsulfanylpropanoic acid
CID 81229442
2,2-dimethyl-4-oxo-4-(pyridazin-3-ylamino)butanoic acid
CID 116786342
3,4,5-trifluoro-N-pyridazin-3-ylbenzamide
CID 113238408

Frequently Asked Questions

What is the IUPAC name of 3-fluoropyridazine;oxalic acid?
The IUPAC name of 3-fluoropyridazine;oxalic acid (CID 175339243) is 3-fluoropyridazine;oxalic acid.
What is the SMILES notation for 3-fluoropyridazine;oxalic acid?
The canonical SMILES for 3-fluoropyridazine;oxalic acid is Fc1cccnn1.O=C(O)C(=O)O.
What is the InChIKey of 3-fluoropyridazine;oxalic acid?
The InChIKey is OCXBIVYMNBWPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2.C2H2O4/c5-4-2-1-3-6-7-4;3-1(4)2(5)6/h1-3H;(H,3,4)(H,5,6).
What are the key properties of 3-fluoropyridazine;oxalic acid?
3-fluoropyridazine;oxalic acid has a molecular weight of 188.11 g/mol, XLogP of -0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropyridazine;oxalic acid is sourced from PubChem (CID 175339243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).