2-(4-hydroxy-6-oxopyridazin-1-yl)acetic acid

C6H6N2O4 — CID 57300311

IUPAC2-(4-hydroxy-6-oxopyridazin-1-yl)acetic acid
SMILESO=C(O)Cn1ncc(O)cc1=O
InChIInChI=1S/C6H6N2O4/c9-4-1-5(10)8(7-2-4)3-6(11)12/h1-2,9H,3H2,(H,11,12)
InChIKeyBHKODTCGKOMXEK-UHFFFAOYSA-N
MW170.12 g/mol
LogP-0.97
Rot. Bonds2

About 2-(4-hydroxy-6-oxopyridazin-1-yl)acetic acid

2-(4-hydroxy-6-oxopyridazin-1-yl)acetic acid (PubChem CID 57300311) has the molecular formula C6H6N2O4 and a molecular weight of 170.12 g/mol. Its IUPAC name is 2-(4-hydroxy-6-oxopyridazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-6-oxopyridazin-1-yl)acetic acid
PubChem CID57300311
Molecular FormulaC6H6N2O4
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name2-(4-hydroxy-6-oxopyridazin-1-yl)acetic acid
SMILESO=C(O)Cn1ncc(O)cc1=O
InChIInChI=1S/C6H6N2O4/c9-4-1-5(10)8(7-2-4)3-6(11)12/h1-2,9H,3H2,(H,11,12)
InChIKeyBHKODTCGKOMXEK-UHFFFAOYSA-N
XLogP-0.97
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-6-oxopyridazin-1-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-6-oxopyridazin-1-yl)acetic acid (CID 57300311) is 2-(4-hydroxy-6-oxopyridazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-6-oxopyridazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-6-oxopyridazin-1-yl)acetic acid is O=C(O)Cn1ncc(O)cc1=O.
What is the InChIKey of 2-(4-hydroxy-6-oxopyridazin-1-yl)acetic acid?
The InChIKey is BHKODTCGKOMXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4/c9-4-1-5(10)8(7-2-4)3-6(11)12/h1-2,9H,3H2,(H,11,12).
What are the key properties of 2-(4-hydroxy-6-oxopyridazin-1-yl)acetic acid?
2-(4-hydroxy-6-oxopyridazin-1-yl)acetic acid has a molecular weight of 170.12 g/mol, XLogP of -0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-6-oxopyridazin-1-yl)acetic acid is sourced from PubChem (CID 57300311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).