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

C15H15BrN2O2 — CID 107575455

IUPAC6-(4-bromo-3,5-dimethylanilino)-2-methylpyridine-3-carboxylic acid
SMILESCc1cc(Nc2ccc(C(=O)O)c(C)n2)cc(C)c1Br
InChIInChI=1S/C15H15BrN2O2/c1-8-6-11(7-9(2)14(8)16)18-13-5-4-12(15(19)20)10(3)17-13/h4-7H,1-3H3,(H,17,18)(H,19,20)
InChIKeyAQAJOOITBJAPQR-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.21
Rot. Bonds3

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

6-(4-bromo-3,5-dimethylanilino)-2-methylpyridine-3-carboxylic acid (PubChem CID 107575455) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 6-(4-bromo-3,5-dimethylanilino)-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-bromo-3,5-dimethylanilino)-2-methylpyridine-3-carboxylic acid
PubChem CID107575455
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name6-(4-bromo-3,5-dimethylanilino)-2-methylpyridine-3-carboxylic acid
SMILESCc1cc(Nc2ccc(C(=O)O)c(C)n2)cc(C)c1Br
InChIInChI=1S/C15H15BrN2O2/c1-8-6-11(7-9(2)14(8)16)18-13-5-4-12(15(19)20)10(3)17-13/h4-7H,1-3H3,(H,17,18)(H,19,20)
InChIKeyAQAJOOITBJAPQR-UHFFFAOYSA-N
XLogP4.21
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid
CID 107575433
6-(3-bromo-5-methoxyanilino)-2-methylpyridine-3-carboxylic acid
CID 82859216
4-(4-bromo-3,5-dimethylanilino)-2-methylbenzoic acid
CID 107575463
6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid
CID 107575447
6-(4-bromo-3,5-dimethylanilino)pyridazine-3-carboxylic acid
CID 107575452
2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid
CID 107575443
6-(5-tert-butyl-2,3-dimethylanilino)-2-methylpyridine-3-carboxylic acid
CID 154656164
6-[(4-bromo-3-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453090
6-(2,6-dichloro-4-fluoroanilino)-2-methylpyridine-3-carboxylic acid
CID 83078813
2-methyl-6-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79885614
6-N-(4-bromo-3,5-dimethylphenyl)pyridine-2,6-diamine
CID 107580588
6-[(3-bromo-4-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 63334423

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3,5-dimethylanilino)-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(4-bromo-3,5-dimethylanilino)-2-methylpyridine-3-carboxylic acid (CID 107575455) is 6-(4-bromo-3,5-dimethylanilino)-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-bromo-3,5-dimethylanilino)-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-bromo-3,5-dimethylanilino)-2-methylpyridine-3-carboxylic acid is Cc1cc(Nc2ccc(C(=O)O)c(C)n2)cc(C)c1Br.
What is the InChIKey of 6-(4-bromo-3,5-dimethylanilino)-2-methylpyridine-3-carboxylic acid?
The InChIKey is AQAJOOITBJAPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-8-6-11(7-9(2)14(8)16)18-13-5-4-12(15(19)20)10(3)17-13/h4-7H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 6-(4-bromo-3,5-dimethylanilino)-2-methylpyridine-3-carboxylic acid?
6-(4-bromo-3,5-dimethylanilino)-2-methylpyridine-3-carboxylic acid has a molecular weight of 335.20 g/mol, XLogP of 4.21, 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)-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 107575455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).