[6-(4-ethoxyphenyl)pyridazin-3-yl] 3-bromo-4-methoxybenzoate

C20H17BrN2O4 — CID 6414011

IUPAC[6-(4-ethoxyphenyl)pyridazin-3-yl] 3-bromo-4-methoxybenzoate
SMILESCCOc1ccc(-c2ccc(OC(=O)c3ccc(OC)c(Br)c3)nn2)cc1
InChIInChI=1S/C20H17BrN2O4/c1-3-26-15-7-4-13(5-8-15)17-9-11-19(23-22-17)27-20(24)14-6-10-18(25-2)16(21)12-14/h4-12H,3H2,1-2H3
InChIKeyQGOCTNUNSNVUQI-UHFFFAOYSA-N
MW429.27 g/mol
LogP4.53
Rot. Bonds6

About [6-(4-ethoxyphenyl)pyridazin-3-yl] 3-bromo-4-methoxybenzoate

[6-(4-ethoxyphenyl)pyridazin-3-yl] 3-bromo-4-methoxybenzoate (PubChem CID 6414011) has the molecular formula C20H17BrN2O4 and a molecular weight of 429.27 g/mol. Its IUPAC name is [6-(4-ethoxyphenyl)pyridazin-3-yl] 3-bromo-4-methoxybenzoate.

Molecular Properties

Compound Name[6-(4-ethoxyphenyl)pyridazin-3-yl] 3-bromo-4-methoxybenzoate
PubChem CID6414011
Molecular FormulaC20H17BrN2O4
Molecular Weight429.27 g/mol
Exact Mass428.04
IUPAC Name[6-(4-ethoxyphenyl)pyridazin-3-yl] 3-bromo-4-methoxybenzoate
SMILESCCOc1ccc(-c2ccc(OC(=O)c3ccc(OC)c(Br)c3)nn2)cc1
InChIInChI=1S/C20H17BrN2O4/c1-3-26-15-7-4-13(5-8-15)17-9-11-19(23-22-17)27-20(24)14-6-10-18(25-2)16(21)12-14/h4-12H,3H2,1-2H3
InChIKeyQGOCTNUNSNVUQI-UHFFFAOYSA-N
XLogP4.53
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.27
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(3,4-dimethoxyphenyl)pyridazin-3-yl] 3,4,5-trimethoxybenzoate
CID 6418724
4-ethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593586
3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide
CID 4948726
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-bromo-4-methoxybenzoate
CID 46626323
(4-hydroxyphenyl) 3-bromo-4-methoxybenzoate
CID 122385852
(2-bromo-4-methylphenyl) 4-ethoxybenzoate
CID 23011316
[4-(4-octoxyphenyl)phenyl] 3-bromo-4-pentoxybenzoate
CID 19846838
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
(4-acetylphenyl) 3-ethoxy-4-methoxybenzoate
CID 8764026
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate
CID 7558734
(4-methylphenyl) 3-bromo-4-butoxybenzoate
CID 23012177
(4-phenylphenyl) 3-bromo-4-propoxybenzoate
CID 23012635

Frequently Asked Questions

What is the IUPAC name of [6-(4-ethoxyphenyl)pyridazin-3-yl] 3-bromo-4-methoxybenzoate?
The IUPAC name of [6-(4-ethoxyphenyl)pyridazin-3-yl] 3-bromo-4-methoxybenzoate (CID 6414011) is [6-(4-ethoxyphenyl)pyridazin-3-yl] 3-bromo-4-methoxybenzoate.
What is the SMILES notation for [6-(4-ethoxyphenyl)pyridazin-3-yl] 3-bromo-4-methoxybenzoate?
The canonical SMILES for [6-(4-ethoxyphenyl)pyridazin-3-yl] 3-bromo-4-methoxybenzoate is CCOc1ccc(-c2ccc(OC(=O)c3ccc(OC)c(Br)c3)nn2)cc1.
What is the InChIKey of [6-(4-ethoxyphenyl)pyridazin-3-yl] 3-bromo-4-methoxybenzoate?
The InChIKey is QGOCTNUNSNVUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O4/c1-3-26-15-7-4-13(5-8-15)17-9-11-19(23-22-17)27-20(24)14-6-10-18(25-2)16(21)12-14/h4-12H,3H2,1-2H3.
What are the key properties of [6-(4-ethoxyphenyl)pyridazin-3-yl] 3-bromo-4-methoxybenzoate?
[6-(4-ethoxyphenyl)pyridazin-3-yl] 3-bromo-4-methoxybenzoate has a molecular weight of 429.27 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethoxyphenyl)pyridazin-3-yl] 3-bromo-4-methoxybenzoate is sourced from PubChem (CID 6414011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).