ethane;ethyl 2-(3-chloro-6-oxopyridazin-1-yl)acetate

C10H15ClN2O3 — CID 145017677

IUPACethane;ethyl 2-(3-chloro-6-oxopyridazin-1-yl)acetate
SMILESCC.CCOC(=O)Cn1nc(Cl)ccc1=O
InChIInChI=1S/C8H9ClN2O3.C2H6/c1-2-14-8(13)5-11-7(12)4-3-6(9)10-11;1-2/h3-4H,2,5H2,1H3;1-2H3
InChIKeyXBJONZYZWVDXRJ-UHFFFAOYSA-N
MW246.69 g/mol
LogP1.49
Rot. Bonds3

About ethane;ethyl 2-(3-chloro-6-oxopyridazin-1-yl)acetate

ethane;ethyl 2-(3-chloro-6-oxopyridazin-1-yl)acetate (PubChem CID 145017677) has the molecular formula C10H15ClN2O3 and a molecular weight of 246.69 g/mol. Its IUPAC name is ethane;ethyl 2-(3-chloro-6-oxopyridazin-1-yl)acetate.

Molecular Properties

Compound Nameethane;ethyl 2-(3-chloro-6-oxopyridazin-1-yl)acetate
PubChem CID145017677
Molecular FormulaC10H15ClN2O3
Molecular Weight246.69 g/mol
Exact Mass246.08
IUPAC Nameethane;ethyl 2-(3-chloro-6-oxopyridazin-1-yl)acetate
SMILESCC.CCOC(=O)Cn1nc(Cl)ccc1=O
InChIInChI=1S/C8H9ClN2O3.C2H6/c1-2-14-8(13)5-11-7(12)4-3-6(9)10-11;1-2/h3-4H,2,5H2,1H3;1-2H3
InChIKeyXBJONZYZWVDXRJ-UHFFFAOYSA-N
XLogP1.49
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl (6-oxopyridazin-1(6H)-yl)acetate
CID 45496282
Pyridazineacetic acid, 1-, (6H), 3-chloro-6-oxo-, ethyl ester
CID 144466
Ethyl 2-fluoro-2-(6-oxopyridazin-1-yl)acetate
CID 81296975
Ethyl 2-fluoro-2-(3-methoxy-6-oxopyridazin-1-yl)acetate
CID 105061568
Methyl 2-(6-oxohydropyridazinyl)acetate
CID 46786410
Ethyl 2-(3-methyl-6-oxo-1,6-dihydropyridazin-1-yl)acetate
CID 62923181
Ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetate
CID 68431642
Ethyl 2-(3-ethenyl-6-oxopyridazin-1-yl)acetate
CID 89184511
Methyl 2-(3-chloro-5-methyl-6-oxopyridazin-1-yl)acetate
CID 146317934
Methyl 2-(3-chloro-4-methyl-6-oxopyridazin-1-yl)acetate
CID 153395324
Methyl 2-(3-bromo-6-oxopyridazin-1-yl)acetate
CID 153582811
Ethyl 2-(3-bromo-6-oxopyridazin-1(6H)-yl)acetate
CID 155295104

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-(3-chloro-6-oxopyridazin-1-yl)acetate?
The IUPAC name of ethane;ethyl 2-(3-chloro-6-oxopyridazin-1-yl)acetate (CID 145017677) is ethane;ethyl 2-(3-chloro-6-oxopyridazin-1-yl)acetate.
What is the SMILES notation for ethane;ethyl 2-(3-chloro-6-oxopyridazin-1-yl)acetate?
The canonical SMILES for ethane;ethyl 2-(3-chloro-6-oxopyridazin-1-yl)acetate is CC.CCOC(=O)Cn1nc(Cl)ccc1=O.
What is the InChIKey of ethane;ethyl 2-(3-chloro-6-oxopyridazin-1-yl)acetate?
The InChIKey is XBJONZYZWVDXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3.C2H6/c1-2-14-8(13)5-11-7(12)4-3-6(9)10-11;1-2/h3-4H,2,5H2,1H3;1-2H3.
What are the key properties of ethane;ethyl 2-(3-chloro-6-oxopyridazin-1-yl)acetate?
ethane;ethyl 2-(3-chloro-6-oxopyridazin-1-yl)acetate has a molecular weight of 246.69 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-(3-chloro-6-oxopyridazin-1-yl)acetate is sourced from PubChem (CID 145017677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).