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

C15H15BrN2O2 — CID 81243842

IUPAC4-(4-bromo-2,6-dimethylanilino)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(Nc2c(C)cc(Br)cc2C)c(C(=O)O)cn1
InChIInChI=1S/C15H15BrN2O2/c1-8-4-11(16)5-9(2)14(8)18-13-6-10(3)17-7-12(13)15(19)20/h4-7H,1-3H3,(H,17,18)(H,19,20)
InChIKeyMNWDUANUFFTGCG-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.21
Rot. Bonds3

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

4-(4-bromo-2,6-dimethylanilino)-6-methylpyridine-3-carboxylic acid (PubChem CID 81243842) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 4-(4-bromo-2,6-dimethylanilino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-bromo-2,6-dimethylanilino)-6-methylpyridine-3-carboxylic acid
PubChem CID81243842
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name4-(4-bromo-2,6-dimethylanilino)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(Nc2c(C)cc(Br)cc2C)c(C(=O)O)cn1
InChIInChI=1S/C15H15BrN2O2/c1-8-4-11(16)5-9(2)14(8)18-13-6-10(3)17-7-12(13)15(19)20/h4-7H,1-3H3,(H,17,18)(H,19,20)
InChIKeyMNWDUANUFFTGCG-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

4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid
CID 107600873
4-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 104724456
4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid
CID 81232359
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid
CID 65499396
4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233036
4-(3-bromo-4-chloroanilino)-6-methylpyridine-3-carboxylic acid
CID 81244235
4,6-dimethylpyridine-3-carboxylic acid
CID 817290
6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
CID 81243431
4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233035
4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 81233223
4-(4-chloro-2-methoxy-5-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 81227803

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,6-dimethylanilino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(4-bromo-2,6-dimethylanilino)-6-methylpyridine-3-carboxylic acid (CID 81243842) is 4-(4-bromo-2,6-dimethylanilino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-bromo-2,6-dimethylanilino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-bromo-2,6-dimethylanilino)-6-methylpyridine-3-carboxylic acid is Cc1cc(Nc2c(C)cc(Br)cc2C)c(C(=O)O)cn1.
What is the InChIKey of 4-(4-bromo-2,6-dimethylanilino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is MNWDUANUFFTGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-8-4-11(16)5-9(2)14(8)18-13-6-10(3)17-7-12(13)15(19)20/h4-7H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 4-(4-bromo-2,6-dimethylanilino)-6-methylpyridine-3-carboxylic acid?
4-(4-bromo-2,6-dimethylanilino)-6-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 4-(4-bromo-2,6-dimethylanilino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81243842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).