2-[(2-chloro-3-pyridinyl)amino]propanoic acid

C8H9ClN2O2 — CID 66174310

IUPAC2-[(2-chloro-3-pyridinyl)amino]propanoic acid
SMILESCC(Nc1cccnc1Cl)C(=O)O
InChIInChI=1S/C8H9ClN2O2/c1-5(8(12)13)11-6-3-2-4-10-7(6)9/h2-5,11H,1H3,(H,12,13)
InChIKeyGJDMDERBJDBTJI-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.62
Rot. Bonds3

About 2-[(2-chloro-3-pyridinyl)amino]propanoic acid

2-[(2-chloro-3-pyridinyl)amino]propanoic acid (PubChem CID 66174310) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-[(2-chloro-3-pyridinyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-chloro-3-pyridinyl)amino]propanoic acid
PubChem CID66174310
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name2-[(2-chloro-3-pyridinyl)amino]propanoic acid
SMILESCC(Nc1cccnc1Cl)C(=O)O
InChIInChI=1S/C8H9ClN2O2/c1-5(8(12)13)11-6-3-2-4-10-7(6)9/h2-5,11H,1H3,(H,12,13)
InChIKeyGJDMDERBJDBTJI-UHFFFAOYSA-N
XLogP1.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(2-chloro-3-pyridinyl)amino]propanoic 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 2-[(2-chloro-3-pyridinyl)amino]propanoic acid?
The IUPAC name of 2-[(2-chloro-3-pyridinyl)amino]propanoic acid (CID 66174310) is 2-[(2-chloro-3-pyridinyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-chloro-3-pyridinyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-chloro-3-pyridinyl)amino]propanoic acid is CC(Nc1cccnc1Cl)C(=O)O.
What is the InChIKey of 2-[(2-chloro-3-pyridinyl)amino]propanoic acid?
The InChIKey is GJDMDERBJDBTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-5(8(12)13)11-6-3-2-4-10-7(6)9/h2-5,11H,1H3,(H,12,13).
What are the key properties of 2-[(2-chloro-3-pyridinyl)amino]propanoic acid?
2-[(2-chloro-3-pyridinyl)amino]propanoic acid has a molecular weight of 200.62 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-pyridinyl)amino]propanoic acid is sourced from PubChem (CID 66174310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).