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

C12H8FN3O3 — CID 115496425

IUPAC5-[(6-fluoropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)c2cccc(F)n2)c1
InChIInChI=1S/C12H8FN3O3/c13-10-3-1-2-9(16-10)11(17)15-8-4-7(12(18)19)5-14-6-8/h1-6H,(H,15,17)(H,18,19)
InChIKeyKSIJLXJGWBDOJJ-UHFFFAOYSA-N
MW261.21 g/mol
LogP1.57
Rot. Bonds3

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

5-[(6-fluoropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 115496425) has the molecular formula C12H8FN3O3 and a molecular weight of 261.21 g/mol. Its IUPAC name is 5-[(6-fluoropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(6-fluoropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID115496425
Molecular FormulaC12H8FN3O3
Molecular Weight261.21 g/mol
Exact Mass261.05
IUPAC Name5-[(6-fluoropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)c2cccc(F)n2)c1
InChIInChI=1S/C12H8FN3O3/c13-10-3-1-2-9(16-10)11(17)15-8-4-7(12(18)19)5-14-6-8/h1-6H,(H,15,17)(H,18,19)
InChIKeyKSIJLXJGWBDOJJ-UHFFFAOYSA-N
XLogP1.57
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 51.57
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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Frequently Asked Questions

What is the IUPAC name of 5-[(6-fluoropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(6-fluoropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid (CID 115496425) is 5-[(6-fluoropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(6-fluoropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(6-fluoropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid is O=C(O)c1cncc(NC(=O)c2cccc(F)n2)c1.
What is the InChIKey of 5-[(6-fluoropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is KSIJLXJGWBDOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O3/c13-10-3-1-2-9(16-10)11(17)15-8-4-7(12(18)19)5-14-6-8/h1-6H,(H,15,17)(H,18,19).
What are the key properties of 5-[(6-fluoropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid?
5-[(6-fluoropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 261.21 g/mol, XLogP of 1.57, 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]pyridine-3-carboxylic acid is sourced from PubChem (CID 115496425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).