2-(2-bromo-4-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid

C14H12BrFN2O2 — CID 63537312

IUPAC2-(2-bromo-4-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Nc2ccc(F)cc2Br)n1
InChIInChI=1S/C14H12BrFN2O2/c1-7-5-8(2)17-13(12(7)14(19)20)18-11-4-3-9(16)6-10(11)15/h3-6H,1-2H3,(H,17,18)(H,19,20)
InChIKeyHOJAZPXYZLIRMP-UHFFFAOYSA-N
MW339.16 g/mol
LogP4.04
Rot. Bonds3

About 2-(2-bromo-4-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid

2-(2-bromo-4-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 63537312) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 2-(2-bromo-4-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromo-4-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID63537312
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name2-(2-bromo-4-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Nc2ccc(F)cc2Br)n1
InChIInChI=1S/C14H12BrFN2O2/c1-7-5-8(2)17-13(12(7)14(19)20)18-11-4-3-9(16)6-10(11)15/h3-6H,1-2H3,(H,17,18)(H,19,20)
InChIKeyHOJAZPXYZLIRMP-UHFFFAOYSA-N
XLogP4.04
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 107791200
2-(2-chloro-5-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 107528823
2-(3-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678644
2-(3,5-difluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61003029
2-(4-bromo-2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 82695182
2-(2-chloro-5-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 107636152
2-(2-bromo-4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570556
2-(2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61003027
2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
CID 61003365
4-(2-bromo-4-fluoroanilino)pyrimidine-5-carboxylic acid
CID 114214052
2-(3-bromo-5-methoxyanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 82860701
2-(2-bromo-5-fluoroanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 107635298

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2-bromo-4-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid (CID 63537312) is 2-(2-bromo-4-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-bromo-4-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-bromo-4-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(Nc2ccc(F)cc2Br)n1.
What is the InChIKey of 2-(2-bromo-4-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is HOJAZPXYZLIRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c1-7-5-8(2)17-13(12(7)14(19)20)18-11-4-3-9(16)6-10(11)15/h3-6H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2-bromo-4-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid?
2-(2-bromo-4-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 339.16 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 63537312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).