2-(3-aminoselenopheno[2,3-b]pyridin-2-yl)acetic acid

C9H8N2O2Se — CID 151166983

IUPAC2-(3-aminoselenopheno[2,3-b]pyridin-2-yl)acetic acid
SMILESNc1c(CC(=O)O)[se]c2ncccc12
InChIInChI=1S/C9H8N2O2Se/c10-8-5-2-1-3-11-9(5)14-6(8)4-7(12)13/h1-3H,4,10H2,(H,12,13)
InChIKeyNBLQPSQZCIHSDN-UHFFFAOYSA-N
MW255.13 g/mol
LogP0.50
Rot. Bonds2

About 2-(3-aminoselenopheno[2,3-b]pyridin-2-yl)acetic acid

2-(3-aminoselenopheno[2,3-b]pyridin-2-yl)acetic acid (PubChem CID 151166983) has the molecular formula C9H8N2O2Se and a molecular weight of 255.13 g/mol. Its IUPAC name is 2-(3-aminoselenopheno[2,3-b]pyridin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-aminoselenopheno[2,3-b]pyridin-2-yl)acetic acid
PubChem CID151166983
Molecular FormulaC9H8N2O2Se
Molecular Weight255.13 g/mol
Exact Mass255.98
IUPAC Name2-(3-aminoselenopheno[2,3-b]pyridin-2-yl)acetic acid
SMILESNc1c(CC(=O)O)[se]c2ncccc12
InChIInChI=1S/C9H8N2O2Se/c10-8-5-2-1-3-11-9(5)14-6(8)4-7(12)13/h1-3H,4,10H2,(H,12,13)
InChIKeyNBLQPSQZCIHSDN-UHFFFAOYSA-N
XLogP0.50
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.13
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(3-aminoselenopheno[2,3-b]pyridin-2-yl)acetic 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-(3-aminoselenopheno[2,3-b]pyridin-2-yl)acetic acid?
The IUPAC name of 2-(3-aminoselenopheno[2,3-b]pyridin-2-yl)acetic acid (CID 151166983) is 2-(3-aminoselenopheno[2,3-b]pyridin-2-yl)acetic acid.
What is the SMILES notation for 2-(3-aminoselenopheno[2,3-b]pyridin-2-yl)acetic acid?
The canonical SMILES for 2-(3-aminoselenopheno[2,3-b]pyridin-2-yl)acetic acid is Nc1c(CC(=O)O)[se]c2ncccc12.
What is the InChIKey of 2-(3-aminoselenopheno[2,3-b]pyridin-2-yl)acetic acid?
The InChIKey is NBLQPSQZCIHSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2Se/c10-8-5-2-1-3-11-9(5)14-6(8)4-7(12)13/h1-3H,4,10H2,(H,12,13).
What are the key properties of 2-(3-aminoselenopheno[2,3-b]pyridin-2-yl)acetic acid?
2-(3-aminoselenopheno[2,3-b]pyridin-2-yl)acetic acid has a molecular weight of 255.13 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoselenopheno[2,3-b]pyridin-2-yl)acetic acid is sourced from PubChem (CID 151166983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).