ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetate

C8H7Cl2FN2O3 — CID 162727608

IUPACethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H7Cl2FN2O3/c1-2-16-8(15)6(11)13-7(14)5(10)4(9)3-12-13/h3,6H,2H2,1H3
InChIKeyJAVKOZQYAKTBKH-UHFFFAOYSA-N
MW269.06 g/mol
LogP1.58
Rot. Bonds3

About ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetate

ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetate (PubChem CID 162727608) has the molecular formula C8H7Cl2FN2O3 and a molecular weight of 269.06 g/mol. Its IUPAC name is ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetate
PubChem CID162727608
Molecular FormulaC8H7Cl2FN2O3
Molecular Weight269.06 g/mol
Exact Mass267.98
IUPAC Nameethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H7Cl2FN2O3/c1-2-16-8(15)6(11)13-7(14)5(10)4(9)3-12-13/h3,6H,2H2,1H3
InChIKeyJAVKOZQYAKTBKH-UHFFFAOYSA-N
XLogP1.58
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetate?
The IUPAC name of ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetate (CID 162727608) is ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetate is CCOC(=O)C(F)n1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetate?
The InChIKey is JAVKOZQYAKTBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FN2O3/c1-2-16-8(15)6(11)13-7(14)5(10)4(9)3-12-13/h3,6H,2H2,1H3.
What are the key properties of ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetate?
ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetate has a molecular weight of 269.06 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetate is sourced from PubChem (CID 162727608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).