6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid

C14H13BrN2O2 — CID 107575447

IUPAC6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid
SMILESCc1cc(Nc2cccc(C(=O)O)n2)cc(C)c1Br
InChIInChI=1S/C14H13BrN2O2/c1-8-6-10(7-9(2)13(8)15)16-12-5-3-4-11(17-12)14(18)19/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyFCSXHYJUVRFPQY-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.90
Rot. Bonds3

About 6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid

6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid (PubChem CID 107575447) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid
PubChem CID107575447
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid
SMILESCc1cc(Nc2cccc(C(=O)O)n2)cc(C)c1Br
InChIInChI=1S/C14H13BrN2O2/c1-8-6-10(7-9(2)13(8)15)16-12-5-3-4-11(17-12)14(18)19/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyFCSXHYJUVRFPQY-UHFFFAOYSA-N
XLogP3.90
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromo-3,5-dimethylanilino)-2-methylpyridine-3-carboxylic acid
CID 107575455
6-(4-bromo-3,5-dimethylanilino)pyridazine-3-carboxylic acid
CID 107575452
6-N-(4-bromo-3,5-dimethylphenyl)pyridine-2,6-diamine
CID 107580588
6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid
CID 107575433
6-(4-acetamidoanilino)pyridine-2-carboxylic acid
CID 62255530
6-(4-methoxyanilino)pyridine-2-carboxylic acid
CID 55053217
6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 79981535
6-N-(4-bromo-3,5-dimethylphenyl)-2-N-propylpyridine-2,6-diamine
CID 107580627
6-(4-chloro-3-fluoroanilino)pyridine-2-carboxylic acid
CID 62240911
6-(2-bromo-5-iodoanilino)pyridine-2-carboxylic acid
CID 114260436
6-(2-fluoro-5-methylanilino)pyridine-2-carboxylic acid
CID 62254300
4-(4-bromo-3,5-dimethylanilino)-2-methylbenzoic acid
CID 107575463

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid (CID 107575447) is 6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid is Cc1cc(Nc2cccc(C(=O)O)n2)cc(C)c1Br.
What is the InChIKey of 6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid?
The InChIKey is FCSXHYJUVRFPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-8-6-10(7-9(2)13(8)15)16-12-5-3-4-11(17-12)14(18)19/h3-7H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid?
6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid has a molecular weight of 321.17 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 107575447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).