selenopheno[2,3-b]pyridine-2-carboxylic acid

C8H5NO2Se — CID 614893

IUPACselenopheno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cccnc2[se]1
InChIInChI=1S/C8H5NO2Se/c10-8(11)6-4-5-2-1-3-9-7(5)12-6/h1-4H,(H,10,11)
InChIKeyGCXKRSCIRSMQAC-UHFFFAOYSA-N
MW226.09 g/mol
LogP0.99
Rot. Bonds1

About selenopheno[2,3-b]pyridine-2-carboxylic acid

selenopheno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 614893) has the molecular formula C8H5NO2Se and a molecular weight of 226.09 g/mol. Its IUPAC name is selenopheno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Nameselenopheno[2,3-b]pyridine-2-carboxylic acid
PubChem CID614893
Molecular FormulaC8H5NO2Se
Molecular Weight226.09 g/mol
Exact Mass226.95
IUPAC Nameselenopheno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cccnc2[se]1
InChIInChI=1S/C8H5NO2Se/c10-8(11)6-4-5-2-1-3-9-7(5)12-6/h1-4H,(H,10,11)
InChIKeyGCXKRSCIRSMQAC-UHFFFAOYSA-N
XLogP0.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.09
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of selenopheno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of selenopheno[2,3-b]pyridine-2-carboxylic acid (CID 614893) is selenopheno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for selenopheno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for selenopheno[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc2cccnc2[se]1.
What is the InChIKey of selenopheno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is GCXKRSCIRSMQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2Se/c10-8(11)6-4-5-2-1-3-9-7(5)12-6/h1-4H,(H,10,11).
What are the key properties of selenopheno[2,3-b]pyridine-2-carboxylic acid?
selenopheno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 226.09 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for selenopheno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 614893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).