ethyl (2R)-2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)propanoate

C9H10ClFN2O3 — CID 175703305

IUPACethyl (2R)-2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)propanoate
SMILESCCOC(=O)[C@@H](C)n1ncc(F)c(Cl)c1=O
InChIInChI=1S/C9H10ClFN2O3/c1-3-16-9(15)5(2)13-8(14)7(10)6(11)4-12-13/h4-5H,3H2,1-2H3/t5-/m1/s1
InChIKeyIVJMOWKDRZZYGQ-RXMQYKEDSA-N
MW248.64 g/mol
LogP1.16
Rot. Bonds3

About ethyl (2R)-2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)propanoate

ethyl (2R)-2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)propanoate (PubChem CID 175703305) has the molecular formula C9H10ClFN2O3 and a molecular weight of 248.64 g/mol. Its IUPAC name is ethyl (2R)-2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)propanoate
PubChem CID175703305
Molecular FormulaC9H10ClFN2O3
Molecular Weight248.64 g/mol
Exact Mass248.04
IUPAC Nameethyl (2R)-2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)propanoate
SMILESCCOC(=O)[C@@H](C)n1ncc(F)c(Cl)c1=O
InChIInChI=1S/C9H10ClFN2O3/c1-3-16-9(15)5(2)13-8(14)7(10)6(11)4-12-13/h4-5H,3H2,1-2H3/t5-/m1/s1
InChIKeyIVJMOWKDRZZYGQ-RXMQYKEDSA-N
XLogP1.16
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.64
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)propanoate?
The IUPAC name of ethyl (2R)-2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)propanoate (CID 175703305) is ethyl (2R)-2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)propanoate.
What is the SMILES notation for ethyl (2R)-2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)propanoate?
The canonical SMILES for ethyl (2R)-2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)propanoate is CCOC(=O)[C@@H](C)n1ncc(F)c(Cl)c1=O.
What is the InChIKey of ethyl (2R)-2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)propanoate?
The InChIKey is IVJMOWKDRZZYGQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H10ClFN2O3/c1-3-16-9(15)5(2)13-8(14)7(10)6(11)4-12-13/h4-5H,3H2,1-2H3/t5-/m1/s1.
What are the key properties of ethyl (2R)-2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)propanoate?
ethyl (2R)-2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)propanoate has a molecular weight of 248.64 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)propanoate is sourced from PubChem (CID 175703305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).