6-chloro-3-[2-(ethoxymethyl)phenoxy]-1H-pyridazin-4-one

C13H13ClN2O3 — CID 23014023

IUPAC6-chloro-3-[2-(ethoxymethyl)phenoxy]-1H-pyridazin-4-one
SMILESCCOCc1ccccc1Oc1n[nH]c(Cl)cc1=O
InChIInChI=1S/C13H13ClN2O3/c1-2-18-8-9-5-3-4-6-11(9)19-13-10(17)7-12(14)15-16-13/h3-7H,2,8H2,1H3,(H,15,17)
InChIKeyNYYCISRCKQEMPY-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.75
Rot. Bonds5

About 6-chloro-3-[2-(ethoxymethyl)phenoxy]-1H-pyridazin-4-one

6-chloro-3-[2-(ethoxymethyl)phenoxy]-1H-pyridazin-4-one (PubChem CID 23014023) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 6-chloro-3-[2-(ethoxymethyl)phenoxy]-1H-pyridazin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-(ethoxymethyl)phenoxy]-1H-pyridazin-4-one
PubChem CID23014023
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name6-chloro-3-[2-(ethoxymethyl)phenoxy]-1H-pyridazin-4-one
SMILESCCOCc1ccccc1Oc1n[nH]c(Cl)cc1=O
InChIInChI=1S/C13H13ClN2O3/c1-2-18-8-9-5-3-4-6-11(9)19-13-10(17)7-12(14)15-16-13/h3-7H,2,8H2,1H3,(H,15,17)
InChIKeyNYYCISRCKQEMPY-UHFFFAOYSA-N
XLogP2.75
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(ethoxymethyl)phenoxy]-1H-pyridazin-4-one?
The IUPAC name of 6-chloro-3-[2-(ethoxymethyl)phenoxy]-1H-pyridazin-4-one (CID 23014023) is 6-chloro-3-[2-(ethoxymethyl)phenoxy]-1H-pyridazin-4-one.
What is the SMILES notation for 6-chloro-3-[2-(ethoxymethyl)phenoxy]-1H-pyridazin-4-one?
The canonical SMILES for 6-chloro-3-[2-(ethoxymethyl)phenoxy]-1H-pyridazin-4-one is CCOCc1ccccc1Oc1n[nH]c(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-[2-(ethoxymethyl)phenoxy]-1H-pyridazin-4-one?
The InChIKey is NYYCISRCKQEMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-2-18-8-9-5-3-4-6-11(9)19-13-10(17)7-12(14)15-16-13/h3-7H,2,8H2,1H3,(H,15,17).
What are the key properties of 6-chloro-3-[2-(ethoxymethyl)phenoxy]-1H-pyridazin-4-one?
6-chloro-3-[2-(ethoxymethyl)phenoxy]-1H-pyridazin-4-one has a molecular weight of 280.71 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(ethoxymethyl)phenoxy]-1H-pyridazin-4-one is sourced from PubChem (CID 23014023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).