2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)acetic acid

C7H7FN2O3 — CID 162727134

IUPAC2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)acetic acid
SMILESCc1c(F)cnn(CC(=O)O)c1=O
InChIInChI=1S/C7H7FN2O3/c1-4-5(8)2-9-10(7(4)13)3-6(11)12/h2H,3H2,1H3,(H,11,12)
InChIKeyYCEOGMZSZWPQKK-UHFFFAOYSA-N
MW186.14 g/mol
LogP-0.22
Rot. Bonds2

About 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)acetic acid

2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)acetic acid (PubChem CID 162727134) has the molecular formula C7H7FN2O3 and a molecular weight of 186.14 g/mol. Its IUPAC name is 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)acetic acid
PubChem CID162727134
Molecular FormulaC7H7FN2O3
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)acetic acid
SMILESCc1c(F)cnn(CC(=O)O)c1=O
InChIInChI=1S/C7H7FN2O3/c1-4-5(8)2-9-10(7(4)13)3-6(11)12/h2H,3H2,1H3,(H,11,12)
InChIKeyYCEOGMZSZWPQKK-UHFFFAOYSA-N
XLogP-0.22
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)acetic acid?
The IUPAC name of 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)acetic acid (CID 162727134) is 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)acetic acid is Cc1c(F)cnn(CC(=O)O)c1=O.
What is the InChIKey of 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)acetic acid?
The InChIKey is YCEOGMZSZWPQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O3/c1-4-5(8)2-9-10(7(4)13)3-6(11)12/h2H,3H2,1H3,(H,11,12).
What are the key properties of 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)acetic acid?
2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)acetic acid has a molecular weight of 186.14 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)acetic acid is sourced from PubChem (CID 162727134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).