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

C11H7FN2O3S — CID 113323241

IUPAC5-[(6-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)O)s1)c1cccc(F)n1
InChIInChI=1S/C11H7FN2O3S/c12-8-3-1-2-6(13-8)10(15)14-9-5-4-7(18-9)11(16)17/h1-5H,(H,14,15)(H,16,17)
InChIKeyMFWMGQKQDKIOTA-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.23
Rot. Bonds3

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

5-[(6-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid (PubChem CID 113323241) has the molecular formula C11H7FN2O3S and a molecular weight of 266.25 g/mol. Its IUPAC name is 5-[(6-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(6-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid
PubChem CID113323241
Molecular FormulaC11H7FN2O3S
Molecular Weight266.25 g/mol
Exact Mass266.02
IUPAC Name5-[(6-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)O)s1)c1cccc(F)n1
InChIInChI=1S/C11H7FN2O3S/c12-8-3-1-2-6(13-8)10(15)14-9-5-4-7(18-9)11(16)17/h1-5H,(H,14,15)(H,16,17)
InChIKeyMFWMGQKQDKIOTA-UHFFFAOYSA-N
XLogP2.23
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.23
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

6-fluoro-N-(1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 115496715
3-[(6-fluoropyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 115496461
2-chloro-6-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496435
5-ethyl-2-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 115496428
6-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-2-carboxamide
CID 113342682
4-fluoro-3-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496348
3-fluoro-4-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496426
5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid
CID 43474325
5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid
CID 43474861
2-[(6-fluoropyridine-2-carbonyl)amino]acetic acid
CID 115496286
3-bromo-5-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496522
N-(4-chloro-2-fluorophenyl)-6-fluoropyridine-2-carboxamide
CID 113323409

Frequently Asked Questions

What is the IUPAC name of 5-[(6-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(6-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid (CID 113323241) is 5-[(6-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(6-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(6-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid is O=C(Nc1ccc(C(=O)O)s1)c1cccc(F)n1.
What is the InChIKey of 5-[(6-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid?
The InChIKey is MFWMGQKQDKIOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O3S/c12-8-3-1-2-6(13-8)10(15)14-9-5-4-7(18-9)11(16)17/h1-5H,(H,14,15)(H,16,17).
What are the key properties of 5-[(6-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid?
5-[(6-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid has a molecular weight of 266.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 113323241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).