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

C12H9BrFN3O2 — CID 114405495

IUPAC5-amino-6-(5-bromo-2-fluoroanilino)pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1Nc1cc(Br)ccc1F
InChIInChI=1S/C12H9BrFN3O2/c13-6-1-2-7(14)10(5-6)17-11-8(15)3-4-9(16-11)12(18)19/h1-5H,15H2,(H,16,17)(H,18,19)
InChIKeyAGXSGPDSUAYDAR-UHFFFAOYSA-N
MW326.13 g/mol
LogP3.01
Rot. Bonds3

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

5-amino-6-(5-bromo-2-fluoroanilino)pyridine-2-carboxylic acid (PubChem CID 114405495) has the molecular formula C12H9BrFN3O2 and a molecular weight of 326.13 g/mol. Its IUPAC name is 5-amino-6-(5-bromo-2-fluoroanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(5-bromo-2-fluoroanilino)pyridine-2-carboxylic acid
PubChem CID114405495
Molecular FormulaC12H9BrFN3O2
Molecular Weight326.13 g/mol
Exact Mass324.99
IUPAC Name5-amino-6-(5-bromo-2-fluoroanilino)pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1Nc1cc(Br)ccc1F
InChIInChI=1S/C12H9BrFN3O2/c13-6-1-2-7(14)10(5-6)17-11-8(15)3-4-9(16-11)12(18)19/h1-5H,15H2,(H,16,17)(H,18,19)
InChIKeyAGXSGPDSUAYDAR-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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(5-bromo-2-fluoroanilino)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(5-bromo-2-fluoroanilino)pyridine-2-carboxylic acid (CID 114405495) is 5-amino-6-(5-bromo-2-fluoroanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(5-bromo-2-fluoroanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(5-bromo-2-fluoroanilino)pyridine-2-carboxylic acid is Nc1ccc(C(=O)O)nc1Nc1cc(Br)ccc1F.
What is the InChIKey of 5-amino-6-(5-bromo-2-fluoroanilino)pyridine-2-carboxylic acid?
The InChIKey is AGXSGPDSUAYDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O2/c13-6-1-2-7(14)10(5-6)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-(5-bromo-2-fluoroanilino)pyridine-2-carboxylic acid?
5-amino-6-(5-bromo-2-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-(5-bromo-2-fluoroanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 114405495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).