ethyl 2-(4-chloro-6-oxo-5-phenylpyridazin-1-yl)acetate

C14H13ClN2O3 — CID 162727287

IUPACethyl 2-(4-chloro-6-oxo-5-phenylpyridazin-1-yl)acetate
SMILESCCOC(=O)Cn1ncc(Cl)c(-c2ccccc2)c1=O
InChIInChI=1S/C14H13ClN2O3/c1-2-20-12(18)9-17-14(19)13(11(15)8-16-17)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3
InChIKeyNSPPLZOJQQJZNH-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.13
Rot. Bonds4

About ethyl 2-(4-chloro-6-oxo-5-phenylpyridazin-1-yl)acetate

ethyl 2-(4-chloro-6-oxo-5-phenylpyridazin-1-yl)acetate (PubChem CID 162727287) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is ethyl 2-(4-chloro-6-oxo-5-phenylpyridazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-6-oxo-5-phenylpyridazin-1-yl)acetate
PubChem CID162727287
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Nameethyl 2-(4-chloro-6-oxo-5-phenylpyridazin-1-yl)acetate
SMILESCCOC(=O)Cn1ncc(Cl)c(-c2ccccc2)c1=O
InChIInChI=1S/C14H13ClN2O3/c1-2-20-12(18)9-17-14(19)13(11(15)8-16-17)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3
InChIKeyNSPPLZOJQQJZNH-UHFFFAOYSA-N
XLogP2.13
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate
CID 59813966
ethyl (3E)-4-(4,5-dichloro-6-oxopyridazin-1-yl)-3-(phenylhydrazinylidene)butanoate
CID 10547974
ethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate
CID 59813948
ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate
CID 102307382
ethyl 2-(4,5-diphenyltriazol-2-yl)acetate
CID 59363121
ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate
CID 820314
ethyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 77231410
[(Z)-[amino(phenyl)methylidene]amino] 2-(4-chloro-5-methylpyrazol-1-yl)acetate
CID 19290062
ethyl 2-(2-benzyl-3-oxopyridazin-4-yl)acetate
CID 68976287
ethyl 2-[4-(2-ethoxy-2-oxoethoxy)-1-oxophthalazin-2-yl]acetate
CID 75123935
ethyl 2-(6-chloropyrazolo[3,4-b]pyrazin-1-yl)acetate
CID 167253717
ethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate
CID 23794369

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-6-oxo-5-phenylpyridazin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-chloro-6-oxo-5-phenylpyridazin-1-yl)acetate (CID 162727287) is ethyl 2-(4-chloro-6-oxo-5-phenylpyridazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-chloro-6-oxo-5-phenylpyridazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-chloro-6-oxo-5-phenylpyridazin-1-yl)acetate is CCOC(=O)Cn1ncc(Cl)c(-c2ccccc2)c1=O.
What is the InChIKey of ethyl 2-(4-chloro-6-oxo-5-phenylpyridazin-1-yl)acetate?
The InChIKey is NSPPLZOJQQJZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-2-20-12(18)9-17-14(19)13(11(15)8-16-17)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 2-(4-chloro-6-oxo-5-phenylpyridazin-1-yl)acetate?
ethyl 2-(4-chloro-6-oxo-5-phenylpyridazin-1-yl)acetate has a molecular weight of 292.72 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-6-oxo-5-phenylpyridazin-1-yl)acetate is sourced from PubChem (CID 162727287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).