5-[(5-chloro-2-pyridinyl)amino]-5-oxopentanoic acid

C10H11ClN2O3 — CID 839487

IUPAC5-[(5-chloro-2-pyridinyl)amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C10H11ClN2O3/c11-7-4-5-8(12-6-7)13-9(14)2-1-3-10(15)16/h4-6H,1-3H2,(H,15,16)(H,12,13,14)
InChIKeyQOIFZZMLDLYEBJ-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.93
Rot. Bonds5

About 5-[(5-chloro-2-pyridinyl)amino]-5-oxopentanoic acid

5-[(5-chloro-2-pyridinyl)amino]-5-oxopentanoic acid (PubChem CID 839487) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 5-[(5-chloro-2-pyridinyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(5-chloro-2-pyridinyl)amino]-5-oxopentanoic acid
PubChem CID839487
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name5-[(5-chloro-2-pyridinyl)amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C10H11ClN2O3/c11-7-4-5-8(12-6-7)13-9(14)2-1-3-10(15)16/h4-6H,1-3H2,(H,15,16)(H,12,13,14)
InChIKeyQOIFZZMLDLYEBJ-UHFFFAOYSA-N
XLogP1.93
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(5-chloro-2-pyridinyl)amino]-5-oxopentanoic 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-[(5-chloro-2-pyridinyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(5-chloro-2-pyridinyl)amino]-5-oxopentanoic acid (CID 839487) is 5-[(5-chloro-2-pyridinyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(5-chloro-2-pyridinyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(5-chloro-2-pyridinyl)amino]-5-oxopentanoic acid is O=C(O)CCCC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 5-[(5-chloro-2-pyridinyl)amino]-5-oxopentanoic acid?
The InChIKey is QOIFZZMLDLYEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c11-7-4-5-8(12-6-7)13-9(14)2-1-3-10(15)16/h4-6H,1-3H2,(H,15,16)(H,12,13,14).
What are the key properties of 5-[(5-chloro-2-pyridinyl)amino]-5-oxopentanoic acid?
5-[(5-chloro-2-pyridinyl)amino]-5-oxopentanoic acid has a molecular weight of 242.66 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-pyridinyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 839487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).