5-amino-6-(2-bromo-5-fluoroanilino)pyridine-2-carboxylic acid

C12H9BrFN3O2 — CID 107637898

IUPAC5-amino-6-(2-bromo-5-fluoroanilino)pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1Nc1cc(F)ccc1Br
InChIInChI=1S/C12H9BrFN3O2/c13-7-2-1-6(14)5-10(7)17-11-8(15)3-4-9(16-11)12(18)19/h1-5H,15H2,(H,16,17)(H,18,19)
InChIKeyLMDLHFQHVVUJBA-UHFFFAOYSA-N
MW326.13 g/mol
LogP3.01
Rot. Bonds3

About 5-amino-6-(2-bromo-5-fluoroanilino)pyridine-2-carboxylic acid

5-amino-6-(2-bromo-5-fluoroanilino)pyridine-2-carboxylic acid (PubChem CID 107637898) has the molecular formula C12H9BrFN3O2 and a molecular weight of 326.13 g/mol. Its IUPAC name is 5-amino-6-(2-bromo-5-fluoroanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(2-bromo-5-fluoroanilino)pyridine-2-carboxylic acid
PubChem CID107637898
Molecular FormulaC12H9BrFN3O2
Molecular Weight326.13 g/mol
Exact Mass324.99
IUPAC Name5-amino-6-(2-bromo-5-fluoroanilino)pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1Nc1cc(F)ccc1Br
InChIInChI=1S/C12H9BrFN3O2/c13-7-2-1-6(14)5-10(7)17-11-8(15)3-4-9(16-11)12(18)19/h1-5H,15H2,(H,16,17)(H,18,19)
InChIKeyLMDLHFQHVVUJBA-UHFFFAOYSA-N
XLogP3.01
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-amino-6-(2-bromo-5-fluoroanilino)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-6-(5-bromo-2-fluoroanilino)pyridine-2-carboxylic acid
CID 114405495
5-amino-6-(3,5-difluoroanilino)pyridine-2-carboxylic acid
CID 114405229
5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid
CID 107615648
5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid
CID 114407056
5-amino-6-(5-bromo-2,4-difluoroanilino)pyridine-2-carboxamide
CID 102854816
methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate
CID 107531028
5-amino-6-(5-bromo-2-methoxyanilino)pyridine-2-carboxylic acid
CID 114405965
2-amino-5-(2-bromo-5-fluoroanilino)benzamide
CID 107637874
methyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate
CID 114407006
5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-2,4-diamine
CID 107639334
5-amino-6-(2,4-dibromoanilino)pyridine-2-carboxamide
CID 114405827
2-amino-3-(2-bromo-5-fluoroanilino)benzoic acid
CID 107637907

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-bromo-5-fluoroanilino)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(2-bromo-5-fluoroanilino)pyridine-2-carboxylic acid (CID 107637898) is 5-amino-6-(2-bromo-5-fluoroanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(2-bromo-5-fluoroanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(2-bromo-5-fluoroanilino)pyridine-2-carboxylic acid is Nc1ccc(C(=O)O)nc1Nc1cc(F)ccc1Br.
What is the InChIKey of 5-amino-6-(2-bromo-5-fluoroanilino)pyridine-2-carboxylic acid?
The InChIKey is LMDLHFQHVVUJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O2/c13-7-2-1-6(14)5-10(7)17-11-8(15)3-4-9(16-11)12(18)19/h1-5H,15H2,(H,16,17)(H,18,19).
What are the key properties of 5-amino-6-(2-bromo-5-fluoroanilino)pyridine-2-carboxylic acid?
5-amino-6-(2-bromo-5-fluoroanilino)pyridine-2-carboxylic acid has a molecular weight of 326.13 g/mol, XLogP of 3.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-bromo-5-fluoroanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 107637898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).