2-[2-(6-carbamoylpyridazin-3-yl)oxyphenyl]acetic acid

C13H11N3O4 — CID 80742351

IUPAC2-[2-(6-carbamoylpyridazin-3-yl)oxyphenyl]acetic acid
SMILESNC(=O)c1ccc(Oc2ccccc2CC(=O)O)nn1
InChIInChI=1S/C13H11N3O4/c14-13(19)9-5-6-11(16-15-9)20-10-4-2-1-3-8(10)7-12(17)18/h1-6H,7H2,(H2,14,19)(H,17,18)
InChIKeyVZEXSTHAYDFTLN-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.99
Rot. Bonds5

About 2-[2-(6-carbamoylpyridazin-3-yl)oxyphenyl]acetic acid

2-[2-(6-carbamoylpyridazin-3-yl)oxyphenyl]acetic acid (PubChem CID 80742351) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-[2-(6-carbamoylpyridazin-3-yl)oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(6-carbamoylpyridazin-3-yl)oxyphenyl]acetic acid
PubChem CID80742351
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name2-[2-(6-carbamoylpyridazin-3-yl)oxyphenyl]acetic acid
SMILESNC(=O)c1ccc(Oc2ccccc2CC(=O)O)nn1
InChIInChI=1S/C13H11N3O4/c14-13(19)9-5-6-11(16-15-9)20-10-4-2-1-3-8(10)7-12(17)18/h1-6H,7H2,(H2,14,19)(H,17,18)
InChIKeyVZEXSTHAYDFTLN-UHFFFAOYSA-N
XLogP0.99
TPSA115.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-carbamoylpyridazin-3-yl)oxyphenyl]acetic acid?
The IUPAC name of 2-[2-(6-carbamoylpyridazin-3-yl)oxyphenyl]acetic acid (CID 80742351) is 2-[2-(6-carbamoylpyridazin-3-yl)oxyphenyl]acetic acid.
What is the SMILES notation for 2-[2-(6-carbamoylpyridazin-3-yl)oxyphenyl]acetic acid?
The canonical SMILES for 2-[2-(6-carbamoylpyridazin-3-yl)oxyphenyl]acetic acid is NC(=O)c1ccc(Oc2ccccc2CC(=O)O)nn1.
What is the InChIKey of 2-[2-(6-carbamoylpyridazin-3-yl)oxyphenyl]acetic acid?
The InChIKey is VZEXSTHAYDFTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c14-13(19)9-5-6-11(16-15-9)20-10-4-2-1-3-8(10)7-12(17)18/h1-6H,7H2,(H2,14,19)(H,17,18).
What are the key properties of 2-[2-(6-carbamoylpyridazin-3-yl)oxyphenyl]acetic acid?
2-[2-(6-carbamoylpyridazin-3-yl)oxyphenyl]acetic acid has a molecular weight of 273.25 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-carbamoylpyridazin-3-yl)oxyphenyl]acetic acid is sourced from PubChem (CID 80742351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).