ethyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate

C10H14FN3O3 — CID 114393854

IUPACethyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate
SMILESCCOC(=O)C(F)n1ncc(N(C)C)cc1=O
InChIInChI=1S/C10H14FN3O3/c1-4-17-10(16)9(11)14-8(15)5-7(6-12-14)13(2)3/h5-6,9H,4H2,1-3H3
InChIKeyWHMYTHKYGPCBPT-UHFFFAOYSA-N
MW243.24 g/mol
LogP0.34
Rot. Bonds4

About ethyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate

ethyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate (PubChem CID 114393854) has the molecular formula C10H14FN3O3 and a molecular weight of 243.24 g/mol. Its IUPAC name is ethyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate
PubChem CID114393854
Molecular FormulaC10H14FN3O3
Molecular Weight243.24 g/mol
Exact Mass243.10
IUPAC Nameethyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate
SMILESCCOC(=O)C(F)n1ncc(N(C)C)cc1=O
InChIInChI=1S/C10H14FN3O3/c1-4-17-10(16)9(11)14-8(15)5-7(6-12-14)13(2)3/h5-6,9H,4H2,1-3H3
InChIKeyWHMYTHKYGPCBPT-UHFFFAOYSA-N
XLogP0.34
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate?
The IUPAC name of ethyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate (CID 114393854) is ethyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate.
What is the SMILES notation for ethyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate?
The canonical SMILES for ethyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate is CCOC(=O)C(F)n1ncc(N(C)C)cc1=O.
What is the InChIKey of ethyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate?
The InChIKey is WHMYTHKYGPCBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3/c1-4-17-10(16)9(11)14-8(15)5-7(6-12-14)13(2)3/h5-6,9H,4H2,1-3H3.
What are the key properties of ethyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate?
ethyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate has a molecular weight of 243.24 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate is sourced from PubChem (CID 114393854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).