3-chloro-4-piperazin-2-ylpyridine-2-carboxylic acid

C10H12ClN3O2 — CID 22291865

IUPAC3-chloro-4-piperazin-2-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1nccc(C2CNCCN2)c1Cl
InChIInChI=1S/C10H12ClN3O2/c11-8-6(7-5-12-3-4-13-7)1-2-14-9(8)10(15)16/h1-2,7,12-13H,3-5H2,(H,15,16)
InChIKeyMUNDIUNKBZRNQN-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.67
Rot. Bonds2

About 3-chloro-4-piperazin-2-ylpyridine-2-carboxylic acid

3-chloro-4-piperazin-2-ylpyridine-2-carboxylic acid (PubChem CID 22291865) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 3-chloro-4-piperazin-2-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-4-piperazin-2-ylpyridine-2-carboxylic acid
PubChem CID22291865
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name3-chloro-4-piperazin-2-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1nccc(C2CNCCN2)c1Cl
InChIInChI=1S/C10H12ClN3O2/c11-8-6(7-5-12-3-4-13-7)1-2-14-9(8)10(15)16/h1-2,7,12-13H,3-5H2,(H,15,16)
InChIKeyMUNDIUNKBZRNQN-UHFFFAOYSA-N
XLogP0.67
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-piperazin-2-ylpyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-4-piperazin-2-ylpyridine-2-carboxylic acid (CID 22291865) is 3-chloro-4-piperazin-2-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-4-piperazin-2-ylpyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-4-piperazin-2-ylpyridine-2-carboxylic acid is O=C(O)c1nccc(C2CNCCN2)c1Cl.
What is the InChIKey of 3-chloro-4-piperazin-2-ylpyridine-2-carboxylic acid?
The InChIKey is MUNDIUNKBZRNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-8-6(7-5-12-3-4-13-7)1-2-14-9(8)10(15)16/h1-2,7,12-13H,3-5H2,(H,15,16).
What are the key properties of 3-chloro-4-piperazin-2-ylpyridine-2-carboxylic acid?
3-chloro-4-piperazin-2-ylpyridine-2-carboxylic acid has a molecular weight of 241.68 g/mol, XLogP of 0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-piperazin-2-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 22291865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).