5-chloro-4-ethoxy-2-phenylpyridazin-3-one

C12H11ClN2O2 — CID 779742

IUPAC5-chloro-4-ethoxy-2-phenylpyridazin-3-one
SMILESCCOc1c(Cl)cnn(-c2ccccc2)c1=O
InChIInChI=1S/C12H11ClN2O2/c1-2-17-11-10(13)8-14-15(12(11)16)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyNYUIZJNUHDKUHE-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.28
Rot. Bonds3

About 5-chloro-4-ethoxy-2-phenylpyridazin-3-one

5-chloro-4-ethoxy-2-phenylpyridazin-3-one (PubChem CID 779742) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 5-chloro-4-ethoxy-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-chloro-4-ethoxy-2-phenylpyridazin-3-one
PubChem CID779742
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name5-chloro-4-ethoxy-2-phenylpyridazin-3-one
SMILESCCOc1c(Cl)cnn(-c2ccccc2)c1=O
InChIInChI=1S/C12H11ClN2O2/c1-2-17-11-10(13)8-14-15(12(11)16)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyNYUIZJNUHDKUHE-UHFFFAOYSA-N
XLogP2.28
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethoxy-2-phenylpyridazin-3-one?
The IUPAC name of 5-chloro-4-ethoxy-2-phenylpyridazin-3-one (CID 779742) is 5-chloro-4-ethoxy-2-phenylpyridazin-3-one.
What is the SMILES notation for 5-chloro-4-ethoxy-2-phenylpyridazin-3-one?
The canonical SMILES for 5-chloro-4-ethoxy-2-phenylpyridazin-3-one is CCOc1c(Cl)cnn(-c2ccccc2)c1=O.
What is the InChIKey of 5-chloro-4-ethoxy-2-phenylpyridazin-3-one?
The InChIKey is NYUIZJNUHDKUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-2-17-11-10(13)8-14-15(12(11)16)9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of 5-chloro-4-ethoxy-2-phenylpyridazin-3-one?
5-chloro-4-ethoxy-2-phenylpyridazin-3-one has a molecular weight of 250.69 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethoxy-2-phenylpyridazin-3-one is sourced from PubChem (CID 779742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).