(3-bromofuran-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone

C11H9BrN2O2 — CID 105101644

IUPAC(3-bromofuran-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone
SMILESCc1cc(C(=O)c2occc2Br)c(C)nn1
InChIInChI=1S/C11H9BrN2O2/c1-6-5-8(7(2)14-13-6)10(15)11-9(12)3-4-16-11/h3-5H,1-2H3
InChIKeyFCIXIEYBJGVXOJ-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.68
Rot. Bonds2

About (3-bromofuran-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone

(3-bromofuran-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone (PubChem CID 105101644) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone
PubChem CID105101644
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name(3-bromofuran-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone
SMILESCc1cc(C(=O)c2occc2Br)c(C)nn1
InChIInChI=1S/C11H9BrN2O2/c1-6-5-8(7(2)14-13-6)10(15)11-9(12)3-4-16-11/h3-5H,1-2H3
InChIKeyFCIXIEYBJGVXOJ-UHFFFAOYSA-N
XLogP2.68
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone?
The IUPAC name of (3-bromofuran-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone (CID 105101644) is (3-bromofuran-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone?
The canonical SMILES for (3-bromofuran-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone is Cc1cc(C(=O)c2occc2Br)c(C)nn1.
What is the InChIKey of (3-bromofuran-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone?
The InChIKey is FCIXIEYBJGVXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c1-6-5-8(7(2)14-13-6)10(15)11-9(12)3-4-16-11/h3-5H,1-2H3.
What are the key properties of (3-bromofuran-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone?
(3-bromofuran-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone has a molecular weight of 281.11 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone is sourced from PubChem (CID 105101644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).