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

C12H8FN3O3 — CID 104785572

IUPAC5-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)c2cncc(F)c2)c1
InChIInChI=1S/C12H8FN3O3/c13-9-1-7(3-14-5-9)11(17)16-10-2-8(12(18)19)4-15-6-10/h1-6H,(H,16,17)(H,18,19)
InChIKeyKJAPPDXMEKSXCU-UHFFFAOYSA-N
MW261.21 g/mol
LogP1.57
Rot. Bonds3

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

5-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 104785572) has the molecular formula C12H8FN3O3 and a molecular weight of 261.21 g/mol. Its IUPAC name is 5-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID104785572
Molecular FormulaC12H8FN3O3
Molecular Weight261.21 g/mol
Exact Mass261.05
IUPAC Name5-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)c2cncc(F)c2)c1
InChIInChI=1S/C12H8FN3O3/c13-9-1-7(3-14-5-9)11(17)16-10-2-8(12(18)19)4-15-6-10/h1-6H,(H,16,17)(H,18,19)
InChIKeyKJAPPDXMEKSXCU-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

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Related Compounds

5-Aminonicotinic Acid
CID 354316
5-(Methylamino)pyridine-3-carboxylic acid
CID 2050103
5-(Dimethylamino)pyridine-3-carboxylic acid
CID 2050105
3-(Benzylamino)pyridine-4-carboxylic acid
CID 71767874
3-(4-Phenylbutanoylamino)pyridine-4-carboxylic acid
CID 64394751
3-[(4-Fluorobenzyl)amino]pyridine-4-carboxylic acid
CID 81750967
3-Pyridinecarboxylic acid, 5-(benzoylamino)-, ethyl ester
CID 657658
5-(1H-pyrrol-1-yl)pyridine-3-carboxylic acid
CID 2050101
Kdoam-1
CID 126961671
5-(2-Mercaptomethyl-propionamido)-nicotinic acid
CID 20275393
3-(3-Phenylpropanoylamino)pyridine-4-carboxylic acid
CID 64393791
3-[(2-Phenylacetyl)amino]pyridine-4-carboxylic acid
CID 64395323

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid (CID 104785572) is 5-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid is O=C(O)c1cncc(NC(=O)c2cncc(F)c2)c1.
What is the InChIKey of 5-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is KJAPPDXMEKSXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O3/c13-9-1-7(3-14-5-9)11(17)16-10-2-8(12(18)19)4-15-6-10/h1-6H,(H,16,17)(H,18,19).
What are the key properties of 5-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid?
5-[(5-fluoropyridine-3-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-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 104785572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).