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

C8H9FN2O3 — CID 175703311

IUPAC(2R)-2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid
SMILESCc1c(F)cnn([C@H](C)C(=O)O)c1=O
InChIInChI=1S/C8H9FN2O3/c1-4-6(9)3-10-11(7(4)12)5(2)8(13)14/h3,5H,1-2H3,(H,13,14)/t5-/m1/s1
InChIKeyKKUDRNVXWXNPET-RXMQYKEDSA-N
MW200.17 g/mol
LogP0.34
Rot. Bonds2

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

(2R)-2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid (PubChem CID 175703311) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is (2R)-2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid
PubChem CID175703311
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name(2R)-2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid
SMILESCc1c(F)cnn([C@H](C)C(=O)O)c1=O
InChIInChI=1S/C8H9FN2O3/c1-4-6(9)3-10-11(7(4)12)5(2)8(13)14/h3,5H,1-2H3,(H,13,14)/t5-/m1/s1
InChIKeyKKUDRNVXWXNPET-RXMQYKEDSA-N
XLogP0.34
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of (2R)-2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid (CID 175703311) is (2R)-2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for (2R)-2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid is Cc1c(F)cnn([C@H](C)C(=O)O)c1=O.
What is the InChIKey of (2R)-2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is KKUDRNVXWXNPET-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H9FN2O3/c1-4-6(9)3-10-11(7(4)12)5(2)8(13)14/h3,5H,1-2H3,(H,13,14)/t5-/m1/s1.
What are the key properties of (2R)-2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid?
(2R)-2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 200.17 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 175703311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).