4,5-dibromo-2-[(E)-3-chloroprop-2-enyl]pyridazin-3-one

C7H5Br2ClN2O — CID 115576890

IUPAC4,5-dibromo-2-[(E)-3-chloroprop-2-enyl]pyridazin-3-one
SMILESO=c1c(Br)c(Br)cnn1C/C=C/Cl
InChIInChI=1S/C7H5Br2ClN2O/c8-5-4-11-12(3-1-2-10)7(13)6(5)9/h1-2,4H,3H2/b2-1+
InChIKeyHNRFWSSFMFZYMM-OWOJBTEDSA-N
MW328.39 g/mol
LogP2.52
Rot. Bonds2

About 4,5-dibromo-2-[(E)-3-chloroprop-2-enyl]pyridazin-3-one

4,5-dibromo-2-[(E)-3-chloroprop-2-enyl]pyridazin-3-one (PubChem CID 115576890) has the molecular formula C7H5Br2ClN2O and a molecular weight of 328.39 g/mol. Its IUPAC name is 4,5-dibromo-2-[(E)-3-chloroprop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-[(E)-3-chloroprop-2-enyl]pyridazin-3-one
PubChem CID115576890
Molecular FormulaC7H5Br2ClN2O
Molecular Weight328.39 g/mol
Exact Mass325.85
IUPAC Name4,5-dibromo-2-[(E)-3-chloroprop-2-enyl]pyridazin-3-one
SMILESO=c1c(Br)c(Br)cnn1C/C=C/Cl
InChIInChI=1S/C7H5Br2ClN2O/c8-5-4-11-12(3-1-2-10)7(13)6(5)9/h1-2,4H,3H2/b2-1+
InChIKeyHNRFWSSFMFZYMM-OWOJBTEDSA-N
XLogP2.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-[(E)-3-chloroprop-2-enyl]pyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-[(E)-3-chloroprop-2-enyl]pyridazin-3-one (CID 115576890) is 4,5-dibromo-2-[(E)-3-chloroprop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-[(E)-3-chloroprop-2-enyl]pyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-[(E)-3-chloroprop-2-enyl]pyridazin-3-one is O=c1c(Br)c(Br)cnn1C/C=C/Cl.
What is the InChIKey of 4,5-dibromo-2-[(E)-3-chloroprop-2-enyl]pyridazin-3-one?
The InChIKey is HNRFWSSFMFZYMM-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H5Br2ClN2O/c8-5-4-11-12(3-1-2-10)7(13)6(5)9/h1-2,4H,3H2/b2-1+.
What are the key properties of 4,5-dibromo-2-[(E)-3-chloroprop-2-enyl]pyridazin-3-one?
4,5-dibromo-2-[(E)-3-chloroprop-2-enyl]pyridazin-3-one has a molecular weight of 328.39 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-[(E)-3-chloroprop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 115576890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).