ethyl (2R)-2-(4-fluoro-6-oxopyridazin-1-yl)propanoate

C9H11FN2O3 — CID 175703327

IUPACethyl (2R)-2-(4-fluoro-6-oxopyridazin-1-yl)propanoate
SMILESCCOC(=O)[C@@H](C)n1ncc(F)cc1=O
InChIInChI=1S/C9H11FN2O3/c1-3-15-9(14)6(2)12-8(13)4-7(10)5-11-12/h4-6H,3H2,1-2H3/t6-/m1/s1
InChIKeyOWZVWEBMSFKBPE-ZCFIWIBFSA-N
MW214.20 g/mol
LogP0.51
Rot. Bonds3

About ethyl (2R)-2-(4-fluoro-6-oxopyridazin-1-yl)propanoate

ethyl (2R)-2-(4-fluoro-6-oxopyridazin-1-yl)propanoate (PubChem CID 175703327) has the molecular formula C9H11FN2O3 and a molecular weight of 214.20 g/mol. Its IUPAC name is ethyl (2R)-2-(4-fluoro-6-oxopyridazin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(4-fluoro-6-oxopyridazin-1-yl)propanoate
PubChem CID175703327
Molecular FormulaC9H11FN2O3
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Nameethyl (2R)-2-(4-fluoro-6-oxopyridazin-1-yl)propanoate
SMILESCCOC(=O)[C@@H](C)n1ncc(F)cc1=O
InChIInChI=1S/C9H11FN2O3/c1-3-15-9(14)6(2)12-8(13)4-7(10)5-11-12/h4-6H,3H2,1-2H3/t6-/m1/s1
InChIKeyOWZVWEBMSFKBPE-ZCFIWIBFSA-N
XLogP0.51
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(4-fluoro-6-oxopyridazin-1-yl)propanoate?
The IUPAC name of ethyl (2R)-2-(4-fluoro-6-oxopyridazin-1-yl)propanoate (CID 175703327) is ethyl (2R)-2-(4-fluoro-6-oxopyridazin-1-yl)propanoate.
What is the SMILES notation for ethyl (2R)-2-(4-fluoro-6-oxopyridazin-1-yl)propanoate?
The canonical SMILES for ethyl (2R)-2-(4-fluoro-6-oxopyridazin-1-yl)propanoate is CCOC(=O)[C@@H](C)n1ncc(F)cc1=O.
What is the InChIKey of ethyl (2R)-2-(4-fluoro-6-oxopyridazin-1-yl)propanoate?
The InChIKey is OWZVWEBMSFKBPE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11FN2O3/c1-3-15-9(14)6(2)12-8(13)4-7(10)5-11-12/h4-6H,3H2,1-2H3/t6-/m1/s1.
What are the key properties of ethyl (2R)-2-(4-fluoro-6-oxopyridazin-1-yl)propanoate?
ethyl (2R)-2-(4-fluoro-6-oxopyridazin-1-yl)propanoate has a molecular weight of 214.20 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(4-fluoro-6-oxopyridazin-1-yl)propanoate is sourced from PubChem (CID 175703327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).