3-(4-bromo-2-chlorophenyl)-1H-pyridazin-6-one

C10H6BrClN2O — CID 82779693

IUPAC3-(4-bromo-2-chlorophenyl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(Br)cc2Cl)n[nH]1
InChIInChI=1S/C10H6BrClN2O/c11-6-1-2-7(8(12)5-6)9-3-4-10(15)14-13-9/h1-5H,(H,14,15)
InChIKeyQCYWONQACCSZFK-UHFFFAOYSA-N
MW285.53 g/mol
LogP2.85
Rot. Bonds1

About 3-(4-bromo-2-chlorophenyl)-1H-pyridazin-6-one

3-(4-bromo-2-chlorophenyl)-1H-pyridazin-6-one (PubChem CID 82779693) has the molecular formula C10H6BrClN2O and a molecular weight of 285.53 g/mol. Its IUPAC name is 3-(4-bromo-2-chlorophenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-bromo-2-chlorophenyl)-1H-pyridazin-6-one
PubChem CID82779693
Molecular FormulaC10H6BrClN2O
Molecular Weight285.53 g/mol
Exact Mass283.94
IUPAC Name3-(4-bromo-2-chlorophenyl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(Br)cc2Cl)n[nH]1
InChIInChI=1S/C10H6BrClN2O/c11-6-1-2-7(8(12)5-6)9-3-4-10(15)14-13-9/h1-5H,(H,14,15)
InChIKeyQCYWONQACCSZFK-UHFFFAOYSA-N
XLogP2.85
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.53
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-chlorophenyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-bromo-2-chlorophenyl)-1H-pyridazin-6-one (CID 82779693) is 3-(4-bromo-2-chlorophenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-bromo-2-chlorophenyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-bromo-2-chlorophenyl)-1H-pyridazin-6-one is O=c1ccc(-c2ccc(Br)cc2Cl)n[nH]1.
What is the InChIKey of 3-(4-bromo-2-chlorophenyl)-1H-pyridazin-6-one?
The InChIKey is QCYWONQACCSZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2O/c11-6-1-2-7(8(12)5-6)9-3-4-10(15)14-13-9/h1-5H,(H,14,15).
What are the key properties of 3-(4-bromo-2-chlorophenyl)-1H-pyridazin-6-one?
3-(4-bromo-2-chlorophenyl)-1H-pyridazin-6-one has a molecular weight of 285.53 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-chlorophenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 82779693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).