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

C7H8BrClN2O — CID 132587720

IUPAC4-bromo-6-chloro-2-propylpyridazin-3-one
SMILESCCCn1nc(Cl)cc(Br)c1=O
InChIInChI=1S/C7H8BrClN2O/c1-2-3-11-7(12)5(8)4-6(9)10-11/h4H,2-3H2,1H3
InChIKeyPCOCPSYDHYVLSE-UHFFFAOYSA-N
MW251.51 g/mol
LogP2.07
Rot. Bonds2

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

4-bromo-6-chloro-2-propylpyridazin-3-one (PubChem CID 132587720) has the molecular formula C7H8BrClN2O and a molecular weight of 251.51 g/mol. Its IUPAC name is 4-bromo-6-chloro-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-6-chloro-2-propylpyridazin-3-one
PubChem CID132587720
Molecular FormulaC7H8BrClN2O
Molecular Weight251.51 g/mol
Exact Mass249.95
IUPAC Name4-bromo-6-chloro-2-propylpyridazin-3-one
SMILESCCCn1nc(Cl)cc(Br)c1=O
InChIInChI=1S/C7H8BrClN2O/c1-2-3-11-7(12)5(8)4-6(9)10-11/h4H,2-3H2,1H3
InChIKeyPCOCPSYDHYVLSE-UHFFFAOYSA-N
XLogP2.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.51
LogP ≤ 52.07
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-propylpyridazin-3-one?
The IUPAC name of 4-bromo-6-chloro-2-propylpyridazin-3-one (CID 132587720) is 4-bromo-6-chloro-2-propylpyridazin-3-one.
What is the SMILES notation for 4-bromo-6-chloro-2-propylpyridazin-3-one?
The canonical SMILES for 4-bromo-6-chloro-2-propylpyridazin-3-one is CCCn1nc(Cl)cc(Br)c1=O.
What is the InChIKey of 4-bromo-6-chloro-2-propylpyridazin-3-one?
The InChIKey is PCOCPSYDHYVLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClN2O/c1-2-3-11-7(12)5(8)4-6(9)10-11/h4H,2-3H2,1H3.
What are the key properties of 4-bromo-6-chloro-2-propylpyridazin-3-one?
4-bromo-6-chloro-2-propylpyridazin-3-one has a molecular weight of 251.51 g/mol, XLogP of 2.07, 2 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-propylpyridazin-3-one is sourced from PubChem (CID 132587720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).