2-amino-5-bromopyridine-4-carboxylic acid

C6H5BrN2O2 — CID 45073556

IUPAC2-amino-5-bromopyridine-4-carboxylic acid
SMILESNc1cc(C(=O)O)c(Br)cn1
InChIInChI=1S/C6H5BrN2O2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2H,(H2,8,9)(H,10,11)
InChIKeyJJJKKHUIIDAXKW-UHFFFAOYSA-N
MW217.02 g/mol
LogP1.12
Rot. Bonds1

About 2-amino-5-bromopyridine-4-carboxylic acid

2-amino-5-bromopyridine-4-carboxylic acid (PubChem CID 45073556) has the molecular formula C6H5BrN2O2 and a molecular weight of 217.02 g/mol. Its IUPAC name is 2-amino-5-bromopyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-bromopyridine-4-carboxylic acid
PubChem CID45073556
Molecular FormulaC6H5BrN2O2
Molecular Weight217.02 g/mol
Exact Mass215.95
IUPAC Name2-amino-5-bromopyridine-4-carboxylic acid
SMILESNc1cc(C(=O)O)c(Br)cn1
InChIInChI=1S/C6H5BrN2O2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2H,(H2,8,9)(H,10,11)
InChIKeyJJJKKHUIIDAXKW-UHFFFAOYSA-N
XLogP1.12
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.02
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromopyridine-4-carboxylic acid?
The IUPAC name of 2-amino-5-bromopyridine-4-carboxylic acid (CID 45073556) is 2-amino-5-bromopyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-bromopyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-bromopyridine-4-carboxylic acid is Nc1cc(C(=O)O)c(Br)cn1.
What is the InChIKey of 2-amino-5-bromopyridine-4-carboxylic acid?
The InChIKey is JJJKKHUIIDAXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2H,(H2,8,9)(H,10,11).
What are the key properties of 2-amino-5-bromopyridine-4-carboxylic acid?
2-amino-5-bromopyridine-4-carboxylic acid has a molecular weight of 217.02 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromopyridine-4-carboxylic acid is sourced from PubChem (CID 45073556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).