5-bromo-6-piperidin-1-ylpyridine-3-carboxylic acid

C11H13BrN2O2 — CID 45480258

IUPAC5-bromo-6-piperidin-1-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N2CCCCC2)c(Br)c1
InChIInChI=1S/C11H13BrN2O2/c12-9-6-8(11(15)16)7-13-10(9)14-4-2-1-3-5-14/h6-7H,1-5H2,(H,15,16)
InChIKeyWHTXKQIQDFRMFN-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.53
Rot. Bonds2

About 5-bromo-6-piperidin-1-ylpyridine-3-carboxylic acid

5-bromo-6-piperidin-1-ylpyridine-3-carboxylic acid (PubChem CID 45480258) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 5-bromo-6-piperidin-1-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-6-piperidin-1-ylpyridine-3-carboxylic acid
PubChem CID45480258
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name5-bromo-6-piperidin-1-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N2CCCCC2)c(Br)c1
InChIInChI=1S/C11H13BrN2O2/c12-9-6-8(11(15)16)7-13-10(9)14-4-2-1-3-5-14/h6-7H,1-5H2,(H,15,16)
InChIKeyWHTXKQIQDFRMFN-UHFFFAOYSA-N
XLogP2.53
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-6-piperidin-1-ylpyridine-3-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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-piperidin-1-ylpyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-6-piperidin-1-ylpyridine-3-carboxylic acid (CID 45480258) is 5-bromo-6-piperidin-1-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-6-piperidin-1-ylpyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-6-piperidin-1-ylpyridine-3-carboxylic acid is O=C(O)c1cnc(N2CCCCC2)c(Br)c1.
What is the InChIKey of 5-bromo-6-piperidin-1-ylpyridine-3-carboxylic acid?
The InChIKey is WHTXKQIQDFRMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-9-6-8(11(15)16)7-13-10(9)14-4-2-1-3-5-14/h6-7H,1-5H2,(H,15,16).
What are the key properties of 5-bromo-6-piperidin-1-ylpyridine-3-carboxylic acid?
5-bromo-6-piperidin-1-ylpyridine-3-carboxylic acid has a molecular weight of 285.14 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-piperidin-1-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 45480258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).