2-amino-5-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid

C12H12N2O2S — CID 53445519

IUPAC2-amino-5-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid
SMILESCCc1csc(-c2cnc(N)cc2C(=O)O)c1
InChIInChI=1S/C12H12N2O2S/c1-2-7-3-10(17-6-7)9-5-14-11(13)4-8(9)12(15)16/h3-6H,2H2,1H3,(H2,13,14)(H,15,16)
InChIKeyNSBRKTYPHZRWDB-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.65
Rot. Bonds3

About 2-amino-5-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid

2-amino-5-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid (PubChem CID 53445519) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-amino-5-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid
PubChem CID53445519
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-amino-5-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid
SMILESCCc1csc(-c2cnc(N)cc2C(=O)O)c1
InChIInChI=1S/C12H12N2O2S/c1-2-7-3-10(17-6-7)9-5-14-11(13)4-8(9)12(15)16/h3-6H,2H2,1H3,(H2,13,14)(H,15,16)
InChIKeyNSBRKTYPHZRWDB-UHFFFAOYSA-N
XLogP2.65
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-5-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid (CID 53445519) is 2-amino-5-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid is CCc1csc(-c2cnc(N)cc2C(=O)O)c1.
What is the InChIKey of 2-amino-5-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid?
The InChIKey is NSBRKTYPHZRWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-2-7-3-10(17-6-7)9-5-14-11(13)4-8(9)12(15)16/h3-6H,2H2,1H3,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-5-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid?
2-amino-5-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid has a molecular weight of 248.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 53445519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).