5-ethyl-2-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid

C13H11FN2O3S — CID 115496428

IUPAC5-ethyl-2-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)c2cccc(F)n2)s1
InChIInChI=1S/C13H11FN2O3S/c1-2-7-6-8(13(18)19)12(20-7)16-11(17)9-4-3-5-10(14)15-9/h3-6H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyFXXIETRNMJSSLS-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.80
Rot. Bonds4

About 5-ethyl-2-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid

5-ethyl-2-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 115496428) has the molecular formula C13H11FN2O3S and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-ethyl-2-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID115496428
Molecular FormulaC13H11FN2O3S
Molecular Weight294.31 g/mol
Exact Mass294.05
IUPAC Name5-ethyl-2-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)c2cccc(F)n2)s1
InChIInChI=1S/C13H11FN2O3S/c1-2-7-6-8(13(18)19)12(20-7)16-11(17)9-4-3-5-10(14)15-9/h3-6H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyFXXIETRNMJSSLS-UHFFFAOYSA-N
XLogP2.80
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 876996
5-ethyl-2-[(3-hydroxy-2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 82810194
2-acetamido-5-ethylthiophene-3-carboxylic acid
CID 21230639
2-[(2,4-dichlorobenzoyl)amino]-5-ethylthiophene-3-carboxylic acid
CID 63616464
5-ethyl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
CID 102921506
2-[(5-chloro-2-hydroxybenzoyl)amino]-5-ethylthiophene-3-carboxylic acid
CID 63616192
2-[(6-chloropyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylic acid
CID 55249925
5-ethyl-2-(thiophene-3-carbonylamino)thiophene-3-carboxylic acid
CID 63616182
5-ethyl-2-[(3-ethylthiophene-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63615151
5-ethyl-2-[(2-hydroxy-5-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 63616184
5-[(6-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 113323241
2-[(6-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid
CID 115496535

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 5-ethyl-2-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid (CID 115496428) is 5-ethyl-2-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 5-ethyl-2-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid is CCc1cc(C(=O)O)c(NC(=O)c2cccc(F)n2)s1.
What is the InChIKey of 5-ethyl-2-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is FXXIETRNMJSSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3S/c1-2-7-6-8(13(18)19)12(20-7)16-11(17)9-4-3-5-10(14)15-9/h3-6H,2H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-ethyl-2-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
5-ethyl-2-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 115496428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).