4-chloro-5-[(4-fluorophenyl)methoxy]-2-methylpyridazin-3-one

C12H10ClFN2O2 — CID 13246161

IUPAC4-chloro-5-[(4-fluorophenyl)methoxy]-2-methylpyridazin-3-one
SMILESCn1ncc(OCc2ccc(F)cc2)c(Cl)c1=O
InChIInChI=1S/C12H10ClFN2O2/c1-16-12(17)11(13)10(6-15-16)18-7-8-2-4-9(14)5-3-8/h2-6H,7H2,1H3
InChIKeyOCSWMXZBRFLARL-UHFFFAOYSA-N
MW268.68 g/mol
LogP2.15
Rot. Bonds3

About 4-chloro-5-[(4-fluorophenyl)methoxy]-2-methylpyridazin-3-one

4-chloro-5-[(4-fluorophenyl)methoxy]-2-methylpyridazin-3-one (PubChem CID 13246161) has the molecular formula C12H10ClFN2O2 and a molecular weight of 268.68 g/mol. Its IUPAC name is 4-chloro-5-[(4-fluorophenyl)methoxy]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(4-fluorophenyl)methoxy]-2-methylpyridazin-3-one
PubChem CID13246161
Molecular FormulaC12H10ClFN2O2
Molecular Weight268.68 g/mol
Exact Mass268.04
IUPAC Name4-chloro-5-[(4-fluorophenyl)methoxy]-2-methylpyridazin-3-one
SMILESCn1ncc(OCc2ccc(F)cc2)c(Cl)c1=O
InChIInChI=1S/C12H10ClFN2O2/c1-16-12(17)11(13)10(6-15-16)18-7-8-2-4-9(14)5-3-8/h2-6H,7H2,1H3
InChIKeyOCSWMXZBRFLARL-UHFFFAOYSA-N
XLogP2.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(4-fluorophenyl)methoxy]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(4-fluorophenyl)methoxy]-2-methylpyridazin-3-one (CID 13246161) is 4-chloro-5-[(4-fluorophenyl)methoxy]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(4-fluorophenyl)methoxy]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(4-fluorophenyl)methoxy]-2-methylpyridazin-3-one is Cn1ncc(OCc2ccc(F)cc2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(4-fluorophenyl)methoxy]-2-methylpyridazin-3-one?
The InChIKey is OCSWMXZBRFLARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2/c1-16-12(17)11(13)10(6-15-16)18-7-8-2-4-9(14)5-3-8/h2-6H,7H2,1H3.
What are the key properties of 4-chloro-5-[(4-fluorophenyl)methoxy]-2-methylpyridazin-3-one?
4-chloro-5-[(4-fluorophenyl)methoxy]-2-methylpyridazin-3-one has a molecular weight of 268.68 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(4-fluorophenyl)methoxy]-2-methylpyridazin-3-one is sourced from PubChem (CID 13246161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).