4-chloro-5-methoxy-2-(phenylmethoxymethyl)pyridazin-3-one

C13H13ClN2O3 — CID 90288515

IUPAC4-chloro-5-methoxy-2-(phenylmethoxymethyl)pyridazin-3-one
SMILESCOc1cnn(COCc2ccccc2)c(=O)c1Cl
InChIInChI=1S/C13H13ClN2O3/c1-18-11-7-15-16(13(17)12(11)14)9-19-8-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3
InChIKeyIRXKVNZODRKHJW-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.08
Rot. Bonds5

About 4-chloro-5-methoxy-2-(phenylmethoxymethyl)pyridazin-3-one

4-chloro-5-methoxy-2-(phenylmethoxymethyl)pyridazin-3-one (PubChem CID 90288515) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 4-chloro-5-methoxy-2-(phenylmethoxymethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-methoxy-2-(phenylmethoxymethyl)pyridazin-3-one
PubChem CID90288515
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name4-chloro-5-methoxy-2-(phenylmethoxymethyl)pyridazin-3-one
SMILESCOc1cnn(COCc2ccccc2)c(=O)c1Cl
InChIInChI=1S/C13H13ClN2O3/c1-18-11-7-15-16(13(17)12(11)14)9-19-8-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3
InChIKeyIRXKVNZODRKHJW-UHFFFAOYSA-N
XLogP2.08
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-2-(phenylmethoxymethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-methoxy-2-(phenylmethoxymethyl)pyridazin-3-one (CID 90288515) is 4-chloro-5-methoxy-2-(phenylmethoxymethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-methoxy-2-(phenylmethoxymethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-methoxy-2-(phenylmethoxymethyl)pyridazin-3-one is COc1cnn(COCc2ccccc2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-methoxy-2-(phenylmethoxymethyl)pyridazin-3-one?
The InChIKey is IRXKVNZODRKHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-18-11-7-15-16(13(17)12(11)14)9-19-8-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3.
What are the key properties of 4-chloro-5-methoxy-2-(phenylmethoxymethyl)pyridazin-3-one?
4-chloro-5-methoxy-2-(phenylmethoxymethyl)pyridazin-3-one has a molecular weight of 280.71 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-2-(phenylmethoxymethyl)pyridazin-3-one is sourced from PubChem (CID 90288515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).