4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-(2-hydroxyethyl)pyridazin-3-one

C13H11BrF2N2O3 — CID 10215607

IUPAC4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-(2-hydroxyethyl)pyridazin-3-one
SMILESO=c1c(Br)c(OCc2ccc(F)cc2F)cnn1CCO
InChIInChI=1S/C13H11BrF2N2O3/c14-12-11(6-17-18(3-4-19)13(12)20)21-7-8-1-2-9(15)5-10(8)16/h1-2,5-6,19H,3-4,7H2
InChIKeyBBFPARLRWJDVPL-UHFFFAOYSA-N
MW361.14 g/mol
LogP1.86
Rot. Bonds5

About 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-(2-hydroxyethyl)pyridazin-3-one

4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-(2-hydroxyethyl)pyridazin-3-one (PubChem CID 10215607) has the molecular formula C13H11BrF2N2O3 and a molecular weight of 361.14 g/mol. Its IUPAC name is 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-(2-hydroxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-(2-hydroxyethyl)pyridazin-3-one
PubChem CID10215607
Molecular FormulaC13H11BrF2N2O3
Molecular Weight361.14 g/mol
Exact Mass359.99
IUPAC Name4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-(2-hydroxyethyl)pyridazin-3-one
SMILESO=c1c(Br)c(OCc2ccc(F)cc2F)cnn1CCO
InChIInChI=1S/C13H11BrF2N2O3/c14-12-11(6-17-18(3-4-19)13(12)20)21-7-8-1-2-9(15)5-10(8)16/h1-2,5-6,19H,3-4,7H2
InChIKeyBBFPARLRWJDVPL-UHFFFAOYSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.14
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-(2-hydroxyethyl)pyridazin-3-one?
The IUPAC name of 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-(2-hydroxyethyl)pyridazin-3-one (CID 10215607) is 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-(2-hydroxyethyl)pyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-(2-hydroxyethyl)pyridazin-3-one?
The canonical SMILES for 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-(2-hydroxyethyl)pyridazin-3-one is O=c1c(Br)c(OCc2ccc(F)cc2F)cnn1CCO.
What is the InChIKey of 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-(2-hydroxyethyl)pyridazin-3-one?
The InChIKey is BBFPARLRWJDVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2O3/c14-12-11(6-17-18(3-4-19)13(12)20)21-7-8-1-2-9(15)5-10(8)16/h1-2,5-6,19H,3-4,7H2.
What are the key properties of 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-(2-hydroxyethyl)pyridazin-3-one?
4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-(2-hydroxyethyl)pyridazin-3-one has a molecular weight of 361.14 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(2,4-difluorophenyl)methoxy]-2-(2-hydroxyethyl)pyridazin-3-one is sourced from PubChem (CID 10215607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).