5-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carboxylic acid

C10H8N2O5 — CID 16793688

IUPAC5-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2[nH]c(=O)ccc2=O)o1
InChIInChI=1S/C10H8N2O5/c13-8-3-4-9(14)12(11-8)5-6-1-2-7(17-6)10(15)16/h1-4H,5H2,(H,11,13)(H,15,16)
InChIKeyKLRFFLJJORQKOT-UHFFFAOYSA-N
MW236.18 g/mol
LogP-0.12
Rot. Bonds3

About 5-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carboxylic acid

5-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carboxylic acid (PubChem CID 16793688) has the molecular formula C10H8N2O5 and a molecular weight of 236.18 g/mol. Its IUPAC name is 5-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carboxylic acid
PubChem CID16793688
Molecular FormulaC10H8N2O5
Molecular Weight236.18 g/mol
Exact Mass236.04
IUPAC Name5-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2[nH]c(=O)ccc2=O)o1
InChIInChI=1S/C10H8N2O5/c13-8-3-4-9(14)12(11-8)5-6-1-2-7(17-6)10(15)16/h1-4H,5H2,(H,11,13)(H,15,16)
InChIKeyKLRFFLJJORQKOT-UHFFFAOYSA-N
XLogP-0.12
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,5-dioxomorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 61313696
5-[(6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid
CID 62851184
5-[(2-oxo-1,3-thiazolidin-3-yl)methyl]furan-2-carboxylic acid
CID 43649080
5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 20992392
oxalic acid;5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 45156284
5-(fluoromethyl)furan-2-carboxylic acid
CID 18507676
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid
CID 43581655
5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid
CID 139348467
bis(5-carboxyfuran-2-yl)iodanium
CID 139729150
2-[(5-carboxyfuran-2-yl)methyl]butanedioic acid
CID 118899746
5-[(3,5-dichloro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid
CID 82146582
5-[(5-carboxyfuran-2-yl)methylsulfinylmethyl]furan-2-carboxylic acid
CID 123122768

Frequently Asked Questions

What is the IUPAC name of 5-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carboxylic acid (CID 16793688) is 5-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carboxylic acid is O=C(O)c1ccc(Cn2[nH]c(=O)ccc2=O)o1.
What is the InChIKey of 5-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carboxylic acid?
The InChIKey is KLRFFLJJORQKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O5/c13-8-3-4-9(14)12(11-8)5-6-1-2-7(17-6)10(15)16/h1-4H,5H2,(H,11,13)(H,15,16).
What are the key properties of 5-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carboxylic acid?
5-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carboxylic acid has a molecular weight of 236.18 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 16793688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).