2-fluoro-2-(3-methoxy-6-oxopyridazin-1-yl)acetic acid

C7H7FN2O4 — CID 105061540

IUPAC2-fluoro-2-(3-methoxy-6-oxopyridazin-1-yl)acetic acid
SMILESCOc1ccc(=O)n(C(F)C(=O)O)n1
InChIInChI=1S/C7H7FN2O4/c1-14-4-2-3-5(11)10(9-4)6(8)7(12)13/h2-3,6H,1H3,(H,12,13)
InChIKeyVEFMGWIJAMVXPK-UHFFFAOYSA-N
MW202.14 g/mol
LogP-0.20
Rot. Bonds3

About 2-fluoro-2-(3-methoxy-6-oxopyridazin-1-yl)acetic acid

2-fluoro-2-(3-methoxy-6-oxopyridazin-1-yl)acetic acid (PubChem CID 105061540) has the molecular formula C7H7FN2O4 and a molecular weight of 202.14 g/mol. Its IUPAC name is 2-fluoro-2-(3-methoxy-6-oxopyridazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(3-methoxy-6-oxopyridazin-1-yl)acetic acid
PubChem CID105061540
Molecular FormulaC7H7FN2O4
Molecular Weight202.14 g/mol
Exact Mass202.04
IUPAC Name2-fluoro-2-(3-methoxy-6-oxopyridazin-1-yl)acetic acid
SMILESCOc1ccc(=O)n(C(F)C(=O)O)n1
InChIInChI=1S/C7H7FN2O4/c1-14-4-2-3-5(11)10(9-4)6(8)7(12)13/h2-3,6H,1H3,(H,12,13)
InChIKeyVEFMGWIJAMVXPK-UHFFFAOYSA-N
XLogP-0.20
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(3-methoxy-6-oxopyridazin-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(3-methoxy-6-oxopyridazin-1-yl)acetic acid (CID 105061540) is 2-fluoro-2-(3-methoxy-6-oxopyridazin-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(3-methoxy-6-oxopyridazin-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(3-methoxy-6-oxopyridazin-1-yl)acetic acid is COc1ccc(=O)n(C(F)C(=O)O)n1.
What is the InChIKey of 2-fluoro-2-(3-methoxy-6-oxopyridazin-1-yl)acetic acid?
The InChIKey is VEFMGWIJAMVXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O4/c1-14-4-2-3-5(11)10(9-4)6(8)7(12)13/h2-3,6H,1H3,(H,12,13).
What are the key properties of 2-fluoro-2-(3-methoxy-6-oxopyridazin-1-yl)acetic acid?
2-fluoro-2-(3-methoxy-6-oxopyridazin-1-yl)acetic acid has a molecular weight of 202.14 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(3-methoxy-6-oxopyridazin-1-yl)acetic acid is sourced from PubChem (CID 105061540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).