4-[(6-fluoropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid

C12H8FN3O3 — CID 113323267

IUPAC4-[(6-fluoropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2cccc(F)n2)ccn1
InChIInChI=1S/C12H8FN3O3/c13-10-3-1-2-8(16-10)11(17)15-7-4-5-14-9(6-7)12(18)19/h1-6H,(H,18,19)(H,14,15,17)
InChIKeyCDIGMVGLZVILIW-UHFFFAOYSA-N
MW261.21 g/mol
LogP1.57
Rot. Bonds3

About 4-[(6-fluoropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid

4-[(6-fluoropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 113323267) has the molecular formula C12H8FN3O3 and a molecular weight of 261.21 g/mol. Its IUPAC name is 4-[(6-fluoropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(6-fluoropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID113323267
Molecular FormulaC12H8FN3O3
Molecular Weight261.21 g/mol
Exact Mass261.05
IUPAC Name4-[(6-fluoropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2cccc(F)n2)ccn1
InChIInChI=1S/C12H8FN3O3/c13-10-3-1-2-8(16-10)11(17)15-7-4-5-14-9(6-7)12(18)19/h1-6H,(H,18,19)(H,14,15,17)
InChIKeyCDIGMVGLZVILIW-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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Related Compounds

Zinc Picolinate
CID 9904746
5-Acetamidopyridine-2-carboxylic acid
CID 5278292
4-(Dimethylamino)pyridine-2-carboxylic acid
CID 2050134
4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid
CID 2050136
4-(Pyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 269643
4-Aminopicolinic acid
CID 2050132
5-Aminopyridine-2-carboxylic acid
CID 4179726
4-Amino-5-acetamidopyridine-2-carboxylic acid
CID 5278296
3-{[(4-Fluorobenzyl)amino]carbonyl}pyridine-2-carboxylic acid
CID 20866734
4-(Piperidin-1-yl)picolinic acid
CID 270402
4-(Methylamino)-2-pyridinecarboxylic acid
CID 2050133
3-Fluoropyridine-2-carboxylic acid
CID 2762786

Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(6-fluoropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid (CID 113323267) is 4-[(6-fluoropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(6-fluoropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(6-fluoropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid is O=C(O)c1cc(NC(=O)c2cccc(F)n2)ccn1.
What is the InChIKey of 4-[(6-fluoropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is CDIGMVGLZVILIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O3/c13-10-3-1-2-8(16-10)11(17)15-7-4-5-14-9(6-7)12(18)19/h1-6H,(H,18,19)(H,14,15,17).
What are the key properties of 4-[(6-fluoropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid?
4-[(6-fluoropyridine-2-carbonyl)amino]pyridine-2-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 4-[(6-fluoropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 113323267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).