4-bromo-3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one

C12H11BrN2O3 — CID 10804945

IUPAC4-bromo-3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1ccc(-c2n[nH]c(=O)cc2Br)cc1OC
InChIInChI=1S/C12H11BrN2O3/c1-17-9-4-3-7(5-10(9)18-2)12-8(13)6-11(16)14-15-12/h3-6H,1-2H3,(H,14,16)
InChIKeyRXKAXFCHEGGPAD-UHFFFAOYSA-N
MW311.14 g/mol
LogP2.22
Rot. Bonds3

About 4-bromo-3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one

4-bromo-3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one (PubChem CID 10804945) has the molecular formula C12H11BrN2O3 and a molecular weight of 311.14 g/mol. Its IUPAC name is 4-bromo-3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-bromo-3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one
PubChem CID10804945
Molecular FormulaC12H11BrN2O3
Molecular Weight311.14 g/mol
Exact Mass310.00
IUPAC Name4-bromo-3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1ccc(-c2n[nH]c(=O)cc2Br)cc1OC
InChIInChI=1S/C12H11BrN2O3/c1-17-9-4-3-7(5-10(9)18-2)12-8(13)6-11(16)14-15-12/h3-6H,1-2H3,(H,14,16)
InChIKeyRXKAXFCHEGGPAD-UHFFFAOYSA-N
XLogP2.22
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)-4-piperidin-1-yl-1H-pyridazin-6-one
CID 10852827
4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 22905823
3-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1H-pyridazin-6-one
CID 18369367
3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 116826928
6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one
CID 7659900
4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642
4-bromo-5-(3,4-dimethoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine
CID 116826012
3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110538216
4-(4-bromophenyl)-1,2-dimethoxybenzene
CID 83666365
5-(aminomethyl)-6-(3-bromo-4-methoxyphenyl)-2-methylpyridazin-3-one
CID 84605771
5-bromo-4-(3,4-dimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 84609697
6-(3,4-dimethoxyphenyl)-1H-pyrazin-2-one
CID 106514360

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one?
The IUPAC name of 4-bromo-3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one (CID 10804945) is 4-bromo-3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-bromo-3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-bromo-3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one is COc1ccc(-c2n[nH]c(=O)cc2Br)cc1OC.
What is the InChIKey of 4-bromo-3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one?
The InChIKey is RXKAXFCHEGGPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3/c1-17-9-4-3-7(5-10(9)18-2)12-8(13)6-11(16)14-15-12/h3-6H,1-2H3,(H,14,16).
What are the key properties of 4-bromo-3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one?
4-bromo-3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one has a molecular weight of 311.14 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 10804945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).