6-methyl-4-oxo-1-(2,4,6-tribromophenyl)pyridazine-3-carboxylic acid

C12H7Br3N2O3 — CID 43154907

IUPAC6-methyl-4-oxo-1-(2,4,6-tribromophenyl)pyridazine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)nn1-c1c(Br)cc(Br)cc1Br
InChIInChI=1S/C12H7Br3N2O3/c1-5-2-9(18)10(12(19)20)16-17(5)11-7(14)3-6(13)4-8(11)15/h2-4H,1H3,(H,19,20)
InChIKeyNFNPNMVXUJOOPE-UHFFFAOYSA-N
MW466.91 g/mol
LogP3.53
Rot. Bonds2

About 6-methyl-4-oxo-1-(2,4,6-tribromophenyl)pyridazine-3-carboxylic acid

6-methyl-4-oxo-1-(2,4,6-tribromophenyl)pyridazine-3-carboxylic acid (PubChem CID 43154907) has the molecular formula C12H7Br3N2O3 and a molecular weight of 466.91 g/mol. Its IUPAC name is 6-methyl-4-oxo-1-(2,4,6-tribromophenyl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-oxo-1-(2,4,6-tribromophenyl)pyridazine-3-carboxylic acid
PubChem CID43154907
Molecular FormulaC12H7Br3N2O3
Molecular Weight466.91 g/mol
Exact Mass463.80
IUPAC Name6-methyl-4-oxo-1-(2,4,6-tribromophenyl)pyridazine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)nn1-c1c(Br)cc(Br)cc1Br
InChIInChI=1S/C12H7Br3N2O3/c1-5-2-9(18)10(12(19)20)16-17(5)11-7(14)3-6(13)4-8(11)15/h2-4H,1H3,(H,19,20)
InChIKeyNFNPNMVXUJOOPE-UHFFFAOYSA-N
XLogP3.53
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.91
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 81287980
1-(5-bromo-2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43556030
1-(4-bromo-2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43363464
1-(2-bromo-4-iodophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 114260944
1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154900
1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154905
1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 11543623
6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid
CID 94962369
1-(2,3-dihydro-1H-inden-5-yl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154903
1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43363545
6-methyl-4-oxo-1-(4-propylphenyl)pyridazine-3-carboxylic acid
CID 43154901
5-propyl-1-(2,4,6-tribromophenyl)triazole-4-carboxylic acid
CID 43325169

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-1-(2,4,6-tribromophenyl)pyridazine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-oxo-1-(2,4,6-tribromophenyl)pyridazine-3-carboxylic acid (CID 43154907) is 6-methyl-4-oxo-1-(2,4,6-tribromophenyl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-oxo-1-(2,4,6-tribromophenyl)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-oxo-1-(2,4,6-tribromophenyl)pyridazine-3-carboxylic acid is Cc1cc(=O)c(C(=O)O)nn1-c1c(Br)cc(Br)cc1Br.
What is the InChIKey of 6-methyl-4-oxo-1-(2,4,6-tribromophenyl)pyridazine-3-carboxylic acid?
The InChIKey is NFNPNMVXUJOOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br3N2O3/c1-5-2-9(18)10(12(19)20)16-17(5)11-7(14)3-6(13)4-8(11)15/h2-4H,1H3,(H,19,20).
What are the key properties of 6-methyl-4-oxo-1-(2,4,6-tribromophenyl)pyridazine-3-carboxylic acid?
6-methyl-4-oxo-1-(2,4,6-tribromophenyl)pyridazine-3-carboxylic acid has a molecular weight of 466.91 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-1-(2,4,6-tribromophenyl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 43154907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).