5-amino-6-(3-bromo-4-fluoroanilino)pyridine-3-carboxylic acid

C12H9BrFN3O2 — CID 113452425

IUPAC5-amino-6-(3-bromo-4-fluoroanilino)pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1Nc1ccc(F)c(Br)c1
InChIInChI=1S/C12H9BrFN3O2/c13-8-4-7(1-2-9(8)14)17-11-10(15)3-6(5-16-11)12(18)19/h1-5H,15H2,(H,16,17)(H,18,19)
InChIKeyJKTQZSCDDUDEJS-UHFFFAOYSA-N
MW326.13 g/mol
LogP3.01
Rot. Bonds3

About 5-amino-6-(3-bromo-4-fluoroanilino)pyridine-3-carboxylic acid

5-amino-6-(3-bromo-4-fluoroanilino)pyridine-3-carboxylic acid (PubChem CID 113452425) has the molecular formula C12H9BrFN3O2 and a molecular weight of 326.13 g/mol. Its IUPAC name is 5-amino-6-(3-bromo-4-fluoroanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(3-bromo-4-fluoroanilino)pyridine-3-carboxylic acid
PubChem CID113452425
Molecular FormulaC12H9BrFN3O2
Molecular Weight326.13 g/mol
Exact Mass324.99
IUPAC Name5-amino-6-(3-bromo-4-fluoroanilino)pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1Nc1ccc(F)c(Br)c1
InChIInChI=1S/C12H9BrFN3O2/c13-8-4-7(1-2-9(8)14)17-11-10(15)3-6(5-16-11)12(18)19/h1-5H,15H2,(H,16,17)(H,18,19)
InChIKeyJKTQZSCDDUDEJS-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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Related Compounds

5-amino-6-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
CID 81439977
5-amino-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxylic acid
CID 81440039
2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine
CID 104775622
2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine
CID 114046311
2-(3-bromo-4-fluoroanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382643
5-bromo-2-N-(3,4-difluorophenyl)pyridine-2,3-diamine
CID 61228857
3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine
CID 104778643
5-amino-6-(2,5-difluoro-4-methylanilino)pyridine-3-carboxylic acid
CID 103587165
5-amino-6-(2-chloro-4,6-difluoroanilino)pyridine-3-carboxylic acid
CID 83087906
5-amino-6-(5-bromo-2-chloroanilino)pyridine-3-carboxylic acid
CID 81439419
5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid
CID 107793033
6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide
CID 115669904

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-bromo-4-fluoroanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(3-bromo-4-fluoroanilino)pyridine-3-carboxylic acid (CID 113452425) is 5-amino-6-(3-bromo-4-fluoroanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(3-bromo-4-fluoroanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(3-bromo-4-fluoroanilino)pyridine-3-carboxylic acid is Nc1cc(C(=O)O)cnc1Nc1ccc(F)c(Br)c1.
What is the InChIKey of 5-amino-6-(3-bromo-4-fluoroanilino)pyridine-3-carboxylic acid?
The InChIKey is JKTQZSCDDUDEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O2/c13-8-4-7(1-2-9(8)14)17-11-10(15)3-6(5-16-11)12(18)19/h1-5H,15H2,(H,16,17)(H,18,19).
What are the key properties of 5-amino-6-(3-bromo-4-fluoroanilino)pyridine-3-carboxylic acid?
5-amino-6-(3-bromo-4-fluoroanilino)pyridine-3-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-(3-bromo-4-fluoroanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 113452425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).