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

C6H5FN2O3 — CID 162728034

IUPAC2-(4-fluoro-6-oxopyridazin-1-yl)acetic acid
SMILESO=C(O)Cn1ncc(F)cc1=O
InChIInChI=1S/C6H5FN2O3/c7-4-1-5(10)9(8-2-4)3-6(11)12/h1-2H,3H2,(H,11,12)
InChIKeyNMNYYMJVTOYGKC-UHFFFAOYSA-N
MW172.12 g/mol
LogP-0.53
Rot. Bonds2

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

2-(4-fluoro-6-oxopyridazin-1-yl)acetic acid (PubChem CID 162728034) has the molecular formula C6H5FN2O3 and a molecular weight of 172.12 g/mol. Its IUPAC name is 2-(4-fluoro-6-oxopyridazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-fluoro-6-oxopyridazin-1-yl)acetic acid
PubChem CID162728034
Molecular FormulaC6H5FN2O3
Molecular Weight172.12 g/mol
Exact Mass172.03
IUPAC Name2-(4-fluoro-6-oxopyridazin-1-yl)acetic acid
SMILESO=C(O)Cn1ncc(F)cc1=O
InChIInChI=1S/C6H5FN2O3/c7-4-1-5(10)9(8-2-4)3-6(11)12/h1-2H,3H2,(H,11,12)
InChIKeyNMNYYMJVTOYGKC-UHFFFAOYSA-N
XLogP-0.53
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-6-oxopyridazin-1-yl)acetic acid?
The IUPAC name of 2-(4-fluoro-6-oxopyridazin-1-yl)acetic acid (CID 162728034) is 2-(4-fluoro-6-oxopyridazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-fluoro-6-oxopyridazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-fluoro-6-oxopyridazin-1-yl)acetic acid is O=C(O)Cn1ncc(F)cc1=O.
What is the InChIKey of 2-(4-fluoro-6-oxopyridazin-1-yl)acetic acid?
The InChIKey is NMNYYMJVTOYGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O3/c7-4-1-5(10)9(8-2-4)3-6(11)12/h1-2H,3H2,(H,11,12).
What are the key properties of 2-(4-fluoro-6-oxopyridazin-1-yl)acetic acid?
2-(4-fluoro-6-oxopyridazin-1-yl)acetic acid has a molecular weight of 172.12 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-6-oxopyridazin-1-yl)acetic acid is sourced from PubChem (CID 162728034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).