2-amino-5-(5-formylthiophen-2-yl)pyridine-3-carboxylic acid

C11H8N2O3S — CID 53222985

IUPAC2-amino-5-(5-formylthiophen-2-yl)pyridine-3-carboxylic acid
SMILESNc1ncc(-c2ccc(C=O)s2)cc1C(=O)O
InChIInChI=1S/C11H8N2O3S/c12-10-8(11(15)16)3-6(4-13-10)9-2-1-7(5-14)17-9/h1-5H,(H2,12,13)(H,15,16)
InChIKeyGFDZKPDTFLFQEA-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.90
Rot. Bonds3

About 2-amino-5-(5-formylthiophen-2-yl)pyridine-3-carboxylic acid

2-amino-5-(5-formylthiophen-2-yl)pyridine-3-carboxylic acid (PubChem CID 53222985) has the molecular formula C11H8N2O3S and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-amino-5-(5-formylthiophen-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(5-formylthiophen-2-yl)pyridine-3-carboxylic acid
PubChem CID53222985
Molecular FormulaC11H8N2O3S
Molecular Weight248.26 g/mol
Exact Mass248.03
IUPAC Name2-amino-5-(5-formylthiophen-2-yl)pyridine-3-carboxylic acid
SMILESNc1ncc(-c2ccc(C=O)s2)cc1C(=O)O
InChIInChI=1S/C11H8N2O3S/c12-10-8(11(15)16)3-6(4-13-10)9-2-1-7(5-14)17-9/h1-5H,(H2,12,13)(H,15,16)
InChIKeyGFDZKPDTFLFQEA-UHFFFAOYSA-N
XLogP1.90
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(5-formylthiophen-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-5-(5-formylthiophen-2-yl)pyridine-3-carboxylic acid (CID 53222985) is 2-amino-5-(5-formylthiophen-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-(5-formylthiophen-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-5-(5-formylthiophen-2-yl)pyridine-3-carboxylic acid is Nc1ncc(-c2ccc(C=O)s2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-(5-formylthiophen-2-yl)pyridine-3-carboxylic acid?
The InChIKey is GFDZKPDTFLFQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3S/c12-10-8(11(15)16)3-6(4-13-10)9-2-1-7(5-14)17-9/h1-5H,(H2,12,13)(H,15,16).
What are the key properties of 2-amino-5-(5-formylthiophen-2-yl)pyridine-3-carboxylic acid?
2-amino-5-(5-formylthiophen-2-yl)pyridine-3-carboxylic acid has a molecular weight of 248.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(5-formylthiophen-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53222985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).