6-(3-bromophenyl)-2-ethylpyridazin-3-one

C12H11BrN2O — CID 7659706

IUPAC6-(3-bromophenyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(-c2cccc(Br)c2)ccc1=O
InChIInChI=1S/C12H11BrN2O/c1-2-15-12(16)7-6-11(14-15)9-4-3-5-10(13)8-9/h3-8H,2H2,1H3
InChIKeyNQIPRSGKHCWIDH-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.69
Rot. Bonds2

About 6-(3-bromophenyl)-2-ethylpyridazin-3-one

6-(3-bromophenyl)-2-ethylpyridazin-3-one (PubChem CID 7659706) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 6-(3-bromophenyl)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name6-(3-bromophenyl)-2-ethylpyridazin-3-one
PubChem CID7659706
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name6-(3-bromophenyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(-c2cccc(Br)c2)ccc1=O
InChIInChI=1S/C12H11BrN2O/c1-2-15-12(16)7-6-11(14-15)9-4-3-5-10(13)8-9/h3-8H,2H2,1H3
InChIKeyNQIPRSGKHCWIDH-UHFFFAOYSA-N
XLogP2.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-2-ethylpyridazin-3-one?
The IUPAC name of 6-(3-bromophenyl)-2-ethylpyridazin-3-one (CID 7659706) is 6-(3-bromophenyl)-2-ethylpyridazin-3-one.
What is the SMILES notation for 6-(3-bromophenyl)-2-ethylpyridazin-3-one?
The canonical SMILES for 6-(3-bromophenyl)-2-ethylpyridazin-3-one is CCn1nc(-c2cccc(Br)c2)ccc1=O.
What is the InChIKey of 6-(3-bromophenyl)-2-ethylpyridazin-3-one?
The InChIKey is NQIPRSGKHCWIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-2-15-12(16)7-6-11(14-15)9-4-3-5-10(13)8-9/h3-8H,2H2,1H3.
What are the key properties of 6-(3-bromophenyl)-2-ethylpyridazin-3-one?
6-(3-bromophenyl)-2-ethylpyridazin-3-one has a molecular weight of 279.14 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-2-ethylpyridazin-3-one is sourced from PubChem (CID 7659706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).