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

C14H13BrN2O2 — CID 84604439

IUPAC5-bromo-6-(2,6-dimethylanilino)pyridine-3-carboxylic acid
SMILESCc1cccc(C)c1Nc1ncc(C(=O)O)cc1Br
InChIInChI=1S/C14H13BrN2O2/c1-8-4-3-5-9(2)12(8)17-13-11(15)6-10(7-16-13)14(18)19/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyWTXJBDPXPKOYBM-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.90
Rot. Bonds3

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

5-bromo-6-(2,6-dimethylanilino)pyridine-3-carboxylic acid (PubChem CID 84604439) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 5-bromo-6-(2,6-dimethylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-6-(2,6-dimethylanilino)pyridine-3-carboxylic acid
PubChem CID84604439
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name5-bromo-6-(2,6-dimethylanilino)pyridine-3-carboxylic acid
SMILESCc1cccc(C)c1Nc1ncc(C(=O)O)cc1Br
InChIInChI=1S/C14H13BrN2O2/c1-8-4-3-5-9(2)12(8)17-13-11(15)6-10(7-16-13)14(18)19/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyWTXJBDPXPKOYBM-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

5-bromo-6-(2-ethoxyanilino)pyridine-3-carboxylic acid
CID 84611034
5-bromo-6-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxylic acid
CID 167950874
5-bromo-2-(2-chloro-6-methylanilino)pyridine-3-carboxylic acid
CID 66256105
5-bromo-N-(2,6-dimethylphenyl)pyrimidin-4-amine
CID 66342196
3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine
CID 107603071
2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid
CID 65499396
8-bromoquinoline-3-carboxylic acid;hydrate
CID 71710960
6-(2,6-dichloroanilino)-5-nitropyridine-3-carboxylic acid
CID 81448213
2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109267067
5-(2-chloro-6-methylanilino)pyrazine-2-carboxylic acid
CID 107372478
N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide
CID 105367745
6-(2-bromoanilino)-5-nitropyridine-3-carboxylic acid
CID 81437692

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2,6-dimethylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-6-(2,6-dimethylanilino)pyridine-3-carboxylic acid (CID 84604439) is 5-bromo-6-(2,6-dimethylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-6-(2,6-dimethylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-6-(2,6-dimethylanilino)pyridine-3-carboxylic acid is Cc1cccc(C)c1Nc1ncc(C(=O)O)cc1Br.
What is the InChIKey of 5-bromo-6-(2,6-dimethylanilino)pyridine-3-carboxylic acid?
The InChIKey is WTXJBDPXPKOYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-8-4-3-5-9(2)12(8)17-13-11(15)6-10(7-16-13)14(18)19/h3-7H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-bromo-6-(2,6-dimethylanilino)pyridine-3-carboxylic acid?
5-bromo-6-(2,6-dimethylanilino)pyridine-3-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 5-bromo-6-(2,6-dimethylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 84604439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).