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

C11H11BrN2O — CID 154664066

IUPAC(4R)-3-(4-bromophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESC[C@@H]1CC(=O)NN=C1c1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,13,15)/t7-/m1/s1
InChIKeySXGJZPOQMJNOFX-SSDOTTSWSA-N
MW267.13 g/mol
LogP2.31
Rot. Bonds1

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

(4R)-3-(4-bromophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 154664066) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is (4R)-3-(4-bromophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name(4R)-3-(4-bromophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID154664066
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name(4R)-3-(4-bromophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESC[C@@H]1CC(=O)NN=C1c1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,13,15)/t7-/m1/s1
InChIKeySXGJZPOQMJNOFX-SSDOTTSWSA-N
XLogP2.31
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(4-bromophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of (4R)-3-(4-bromophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 154664066) is (4R)-3-(4-bromophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for (4R)-3-(4-bromophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for (4R)-3-(4-bromophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is C[C@@H]1CC(=O)NN=C1c1ccc(Br)cc1.
What is the InChIKey of (4R)-3-(4-bromophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is SXGJZPOQMJNOFX-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,13,15)/t7-/m1/s1.
What are the key properties of (4R)-3-(4-bromophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
(4R)-3-(4-bromophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 267.13 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(4-bromophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 154664066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).