2-(6-oxo-3-phenylpyridazin-1-yl)acetic acid

C12H10N2O3 — CID 774033

IUPAC2-(6-oxo-3-phenylpyridazin-1-yl)acetic acid
SMILESO=C(O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C12H10N2O3/c15-11-7-6-10(9-4-2-1-3-5-9)13-14(11)8-12(16)17/h1-7H,8H2,(H,16,17)
InChIKeyLCGVBLNLPUJFQB-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.99
Rot. Bonds3

About 2-(6-oxo-3-phenylpyridazin-1-yl)acetic acid

2-(6-oxo-3-phenylpyridazin-1-yl)acetic acid (PubChem CID 774033) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-(6-oxo-3-phenylpyridazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-oxo-3-phenylpyridazin-1-yl)acetic acid
PubChem CID774033
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-(6-oxo-3-phenylpyridazin-1-yl)acetic acid
SMILESO=C(O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C12H10N2O3/c15-11-7-6-10(9-4-2-1-3-5-9)13-14(11)8-12(16)17/h1-7H,8H2,(H,16,17)
InChIKeyLCGVBLNLPUJFQB-UHFFFAOYSA-N
XLogP0.99
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-phenylpyridazin-1-yl)acetic acid?
The IUPAC name of 2-(6-oxo-3-phenylpyridazin-1-yl)acetic acid (CID 774033) is 2-(6-oxo-3-phenylpyridazin-1-yl)acetic acid.
What is the SMILES notation for 2-(6-oxo-3-phenylpyridazin-1-yl)acetic acid?
The canonical SMILES for 2-(6-oxo-3-phenylpyridazin-1-yl)acetic acid is O=C(O)Cn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of 2-(6-oxo-3-phenylpyridazin-1-yl)acetic acid?
The InChIKey is LCGVBLNLPUJFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-11-7-6-10(9-4-2-1-3-5-9)13-14(11)8-12(16)17/h1-7H,8H2,(H,16,17).
What are the key properties of 2-(6-oxo-3-phenylpyridazin-1-yl)acetic acid?
2-(6-oxo-3-phenylpyridazin-1-yl)acetic acid has a molecular weight of 230.22 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-phenylpyridazin-1-yl)acetic acid is sourced from PubChem (CID 774033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).