ethyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetate

C10H11ClF3N3O3 — CID 114433771

IUPACethyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetate
SMILESCCOC(=O)CNc1cnn(CC(F)(F)F)c(=O)c1Cl
InChIInChI=1S/C10H11ClF3N3O3/c1-2-20-7(18)4-15-6-3-16-17(5-10(12,13)14)9(19)8(6)11/h3,15H,2,4-5H2,1H3
InChIKeyJDMRFRODBSWSJB-UHFFFAOYSA-N
MW313.66 g/mol
LogP1.43
Rot. Bonds5

About ethyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetate

ethyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetate (PubChem CID 114433771) has the molecular formula C10H11ClF3N3O3 and a molecular weight of 313.66 g/mol. Its IUPAC name is ethyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetate
PubChem CID114433771
Molecular FormulaC10H11ClF3N3O3
Molecular Weight313.66 g/mol
Exact Mass313.04
IUPAC Nameethyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetate
SMILESCCOC(=O)CNc1cnn(CC(F)(F)F)c(=O)c1Cl
InChIInChI=1S/C10H11ClF3N3O3/c1-2-20-7(18)4-15-6-3-16-17(5-10(12,13)14)9(19)8(6)11/h3,15H,2,4-5H2,1H3
InChIKeyJDMRFRODBSWSJB-UHFFFAOYSA-N
XLogP1.43
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.66
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetate
CID 70449857
4-Chloro-2-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridazin-3-one
CID 36250548
4-Chloro-5-(2-methoxypropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 102698960
5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyridazin-6-one
CID 103081442
4-Chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-methylpyridazin-3-one
CID 103081449
4-Chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 103081526
4-Chloro-2-(2-methoxyethyl)-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one
CID 104854507
4-Chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 104858548
Methyl 2-[5-chloro-6-oxo-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-1-yl]acetate
CID 105646934
Methyl 2-[5-chloro-4-[(3,3-difluoro-2-hydroxypropyl)amino]-6-oxopyridazin-1-yl]acetate
CID 105647552
4-Chloro-5-[(3,3-difluoro-2-hydroxypropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 105647649
4-Chloro-5-[2-(cyclopropylmethoxy)ethylamino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 105681755

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetate?
The IUPAC name of ethyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetate (CID 114433771) is ethyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetate is CCOC(=O)CNc1cnn(CC(F)(F)F)c(=O)c1Cl.
What is the InChIKey of ethyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetate?
The InChIKey is JDMRFRODBSWSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O3/c1-2-20-7(18)4-15-6-3-16-17(5-10(12,13)14)9(19)8(6)11/h3,15H,2,4-5H2,1H3.
What are the key properties of ethyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetate?
ethyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetate has a molecular weight of 313.66 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetate is sourced from PubChem (CID 114433771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).