6-(4-bromo-3,5-dimethylanilino)pyridazine-3-carboxylic acid

C13H12BrN3O2 — CID 107575452

IUPAC6-(4-bromo-3,5-dimethylanilino)pyridazine-3-carboxylic acid
SMILESCc1cc(Nc2ccc(C(=O)O)nn2)cc(C)c1Br
InChIInChI=1S/C13H12BrN3O2/c1-7-5-9(6-8(2)12(7)14)15-11-4-3-10(13(18)19)16-17-11/h3-6H,1-2H3,(H,15,17)(H,18,19)
InChIKeyUXXPXVQDBYIVRO-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.30
Rot. Bonds3

About 6-(4-bromo-3,5-dimethylanilino)pyridazine-3-carboxylic acid

6-(4-bromo-3,5-dimethylanilino)pyridazine-3-carboxylic acid (PubChem CID 107575452) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 6-(4-bromo-3,5-dimethylanilino)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-bromo-3,5-dimethylanilino)pyridazine-3-carboxylic acid
PubChem CID107575452
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name6-(4-bromo-3,5-dimethylanilino)pyridazine-3-carboxylic acid
SMILESCc1cc(Nc2ccc(C(=O)O)nn2)cc(C)c1Br
InChIInChI=1S/C13H12BrN3O2/c1-7-5-9(6-8(2)12(7)14)15-11-4-3-10(13(18)19)16-17-11/h3-6H,1-2H3,(H,15,17)(H,18,19)
InChIKeyUXXPXVQDBYIVRO-UHFFFAOYSA-N
XLogP3.30
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluoro-3-methylanilino)pyridazine-3-carboxylic acid
CID 62812713
6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid
CID 107575447
6-(4-bromo-3,5-dimethylanilino)-2-methylpyridine-3-carboxylic acid
CID 107575455
6-(4-acetamidoanilino)pyridazine-3-carboxylic acid
CID 60791814
6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid
CID 107575433
4-(4-bromo-3,5-dimethylanilino)-2-methylbenzoic acid
CID 107575463
6-[(1-methylpyrazol-4-yl)amino]pyridazine-3-carboxylic acid
CID 60792259
2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid
CID 107575443
6-anilino-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
CID 109126617
6-(4-bromo-3,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide
CID 133435107
6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60790862
6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126645

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3,5-dimethylanilino)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(4-bromo-3,5-dimethylanilino)pyridazine-3-carboxylic acid (CID 107575452) is 6-(4-bromo-3,5-dimethylanilino)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(4-bromo-3,5-dimethylanilino)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(4-bromo-3,5-dimethylanilino)pyridazine-3-carboxylic acid is Cc1cc(Nc2ccc(C(=O)O)nn2)cc(C)c1Br.
What is the InChIKey of 6-(4-bromo-3,5-dimethylanilino)pyridazine-3-carboxylic acid?
The InChIKey is UXXPXVQDBYIVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-7-5-9(6-8(2)12(7)14)15-11-4-3-10(13(18)19)16-17-11/h3-6H,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 6-(4-bromo-3,5-dimethylanilino)pyridazine-3-carboxylic acid?
6-(4-bromo-3,5-dimethylanilino)pyridazine-3-carboxylic acid has a molecular weight of 322.16 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3,5-dimethylanilino)pyridazine-3-carboxylic acid is sourced from PubChem (CID 107575452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).