2-(2-bromoprop-2-enyl)-6-methoxypyridazin-3-one

C8H9BrN2O2 — CID 131014849

IUPAC2-(2-bromoprop-2-enyl)-6-methoxypyridazin-3-one
SMILESC=C(Br)Cn1nc(OC)ccc1=O
InChIInChI=1S/C8H9BrN2O2/c1-6(9)5-11-8(12)4-3-7(10-11)13-2/h3-4H,1,5H2,2H3
InChIKeyBCSNQLIAGKVMHB-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.16
Rot. Bonds3

About 2-(2-bromoprop-2-enyl)-6-methoxypyridazin-3-one

2-(2-bromoprop-2-enyl)-6-methoxypyridazin-3-one (PubChem CID 131014849) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(2-bromoprop-2-enyl)-6-methoxypyridazin-3-one
PubChem CID131014849
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name2-(2-bromoprop-2-enyl)-6-methoxypyridazin-3-one
SMILESC=C(Br)Cn1nc(OC)ccc1=O
InChIInChI=1S/C8H9BrN2O2/c1-6(9)5-11-8(12)4-3-7(10-11)13-2/h3-4H,1,5H2,2H3
InChIKeyBCSNQLIAGKVMHB-UHFFFAOYSA-N
XLogP1.16
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-3-methoxy-6-pyridazone
CID 96429
2-Allyl-6-allyloxy-3-pyridazone
CID 12843594
Trifluoro-[3-(3-methoxy-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746484
2-(2-Cyanoethyl)-2,3-dihydro-6-methoxy-3-oxopyridazine
CID 587495
5-Bromo-6-methoxy-2-methylpyridazin-3(2H)-one
CID 84075934
6-Methoxy-2-propylpyridazin-3-one
CID 131085900
2-(5-Bromopentyl)-6-methoxypyridazin-3-one
CID 105061590
2-[2-(Bromomethyl)butyl]-6-methoxypyridazin-3-one
CID 105061593
2-(4-Bromobutyl)-6-methoxypyridazin-3-one
CID 105061596
2-(3-Bromo-2,2-dimethylpropyl)-6-methoxypyridazin-3-one
CID 105061598
2-(2-Bromoethyl)-6-methoxypyridazin-3-one
CID 105061600
2-(3-Bromopropyl)-6-methoxypyridazin-3-one
CID 105061601

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(2-bromoprop-2-enyl)-6-methoxypyridazin-3-one (CID 131014849) is 2-(2-bromoprop-2-enyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(2-bromoprop-2-enyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(2-bromoprop-2-enyl)-6-methoxypyridazin-3-one is C=C(Br)Cn1nc(OC)ccc1=O.
What is the InChIKey of 2-(2-bromoprop-2-enyl)-6-methoxypyridazin-3-one?
The InChIKey is BCSNQLIAGKVMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-6(9)5-11-8(12)4-3-7(10-11)13-2/h3-4H,1,5H2,2H3.
What are the key properties of 2-(2-bromoprop-2-enyl)-6-methoxypyridazin-3-one?
2-(2-bromoprop-2-enyl)-6-methoxypyridazin-3-one has a molecular weight of 245.08 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 131014849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).