2-amino-5-bromopyridine-3-carboxylic acid

C6H5BrN2O2 — CID 737445

IUPAC2-amino-5-bromopyridine-3-carboxylic acid
SMILESNc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C6H5BrN2O2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H2,8,9)(H,10,11)
InChIKeyIEPDTLRHISNBLB-UHFFFAOYSA-N
MW217.02 g/mol
LogP1.12
Rot. Bonds1

About 2-amino-5-bromopyridine-3-carboxylic acid

2-amino-5-bromopyridine-3-carboxylic acid (PubChem CID 737445) has the molecular formula C6H5BrN2O2 and a molecular weight of 217.02 g/mol. Its IUPAC name is 2-amino-5-bromopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-bromopyridine-3-carboxylic acid
PubChem CID737445
Molecular FormulaC6H5BrN2O2
Molecular Weight217.02 g/mol
Exact Mass215.95
IUPAC Name2-amino-5-bromopyridine-3-carboxylic acid
SMILESNc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C6H5BrN2O2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H2,8,9)(H,10,11)
InChIKeyIEPDTLRHISNBLB-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-3-carboxylic acid?
The IUPAC name of 2-amino-5-bromopyridine-3-carboxylic acid (CID 737445) is 2-amino-5-bromopyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-bromopyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-5-bromopyridine-3-carboxylic acid is Nc1ncc(Br)cc1C(=O)O.
What is the InChIKey of 2-amino-5-bromopyridine-3-carboxylic acid?
The InChIKey is IEPDTLRHISNBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H2,8,9)(H,10,11).
What are the key properties of 2-amino-5-bromopyridine-3-carboxylic acid?
2-amino-5-bromopyridine-3-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-3-carboxylic acid is sourced from PubChem (CID 737445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).