4-bromo-6-chloro-2-cyclopropylpyridazin-3-one

C7H6BrClN2O — CID 169236563

IUPAC4-bromo-6-chloro-2-cyclopropylpyridazin-3-one
SMILESO=c1c(Br)cc(Cl)nn1C1CC1
InChIInChI=1S/C7H6BrClN2O/c8-5-3-6(9)10-11(7(5)12)4-1-2-4/h3-4H,1-2H2
InChIKeyOLYNAYIJMDNDGB-UHFFFAOYSA-N
MW249.49 g/mol
LogP1.99
Rot. Bonds1

About 4-bromo-6-chloro-2-cyclopropylpyridazin-3-one

4-bromo-6-chloro-2-cyclopropylpyridazin-3-one (PubChem CID 169236563) has the molecular formula C7H6BrClN2O and a molecular weight of 249.49 g/mol. Its IUPAC name is 4-bromo-6-chloro-2-cyclopropylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-6-chloro-2-cyclopropylpyridazin-3-one
PubChem CID169236563
Molecular FormulaC7H6BrClN2O
Molecular Weight249.49 g/mol
Exact Mass247.94
IUPAC Name4-bromo-6-chloro-2-cyclopropylpyridazin-3-one
SMILESO=c1c(Br)cc(Cl)nn1C1CC1
InChIInChI=1S/C7H6BrClN2O/c8-5-3-6(9)10-11(7(5)12)4-1-2-4/h3-4H,1-2H2
InChIKeyOLYNAYIJMDNDGB-UHFFFAOYSA-N
XLogP1.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.49
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-2-cyclopropylpyridazin-3-one?
The IUPAC name of 4-bromo-6-chloro-2-cyclopropylpyridazin-3-one (CID 169236563) is 4-bromo-6-chloro-2-cyclopropylpyridazin-3-one.
What is the SMILES notation for 4-bromo-6-chloro-2-cyclopropylpyridazin-3-one?
The canonical SMILES for 4-bromo-6-chloro-2-cyclopropylpyridazin-3-one is O=c1c(Br)cc(Cl)nn1C1CC1.
What is the InChIKey of 4-bromo-6-chloro-2-cyclopropylpyridazin-3-one?
The InChIKey is OLYNAYIJMDNDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClN2O/c8-5-3-6(9)10-11(7(5)12)4-1-2-4/h3-4H,1-2H2.
What are the key properties of 4-bromo-6-chloro-2-cyclopropylpyridazin-3-one?
4-bromo-6-chloro-2-cyclopropylpyridazin-3-one has a molecular weight of 249.49 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-2-cyclopropylpyridazin-3-one is sourced from PubChem (CID 169236563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).