5-chloro-6-piperazin-1-ylpyridine-3-carboxylic acid

C10H12ClN3O2 — CID 2771794

IUPAC5-chloro-6-piperazin-1-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N2CCNCC2)c(Cl)c1
InChIInChI=1S/C10H12ClN3O2/c11-8-5-7(10(15)16)6-13-9(8)14-3-1-12-2-4-14/h5-6,12H,1-4H2,(H,15,16)
InChIKeyYWIMUHQNVJTAKH-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.84
Rot. Bonds2

About 5-chloro-6-piperazin-1-ylpyridine-3-carboxylic acid

5-chloro-6-piperazin-1-ylpyridine-3-carboxylic acid (PubChem CID 2771794) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 5-chloro-6-piperazin-1-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-piperazin-1-ylpyridine-3-carboxylic acid
PubChem CID2771794
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name5-chloro-6-piperazin-1-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N2CCNCC2)c(Cl)c1
InChIInChI=1S/C10H12ClN3O2/c11-8-5-7(10(15)16)6-13-9(8)14-3-1-12-2-4-14/h5-6,12H,1-4H2,(H,15,16)
InChIKeyYWIMUHQNVJTAKH-UHFFFAOYSA-N
XLogP0.84
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-6-piperazin-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-chloro-6-piperazin-1-ylpyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-piperazin-1-ylpyridine-3-carboxylic acid (CID 2771794) is 5-chloro-6-piperazin-1-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-piperazin-1-ylpyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-piperazin-1-ylpyridine-3-carboxylic acid is O=C(O)c1cnc(N2CCNCC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-piperazin-1-ylpyridine-3-carboxylic acid?
The InChIKey is YWIMUHQNVJTAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-8-5-7(10(15)16)6-13-9(8)14-3-1-12-2-4-14/h5-6,12H,1-4H2,(H,15,16).
What are the key properties of 5-chloro-6-piperazin-1-ylpyridine-3-carboxylic acid?
5-chloro-6-piperazin-1-ylpyridine-3-carboxylic acid has a molecular weight of 241.68 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-piperazin-1-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 2771794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).