3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one

C10H9BrN2O — CID 689108

IUPAC3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(Br)cc2)=NN1
InChIInChI=1S/C10H9BrN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-4H,5-6H2,(H,13,14)
InChIKeyCDDNLMGOLYMTSF-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.06
Rot. Bonds1

About 3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one

3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 689108) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID689108
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(Br)cc2)=NN1
InChIInChI=1S/C10H9BrN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-4H,5-6H2,(H,13,14)
InChIKeyCDDNLMGOLYMTSF-UHFFFAOYSA-N
XLogP2.06
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 689108) is 3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(c2ccc(Br)cc2)=NN1.
What is the InChIKey of 3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is CDDNLMGOLYMTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-4H,5-6H2,(H,13,14).
What are the key properties of 3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 253.10 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 689108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).