2-[(5-fluoropyridine-3-carbonyl)amino]oxyacetic acid

C8H7FN2O4 — CID 104785595

IUPAC2-[(5-fluoropyridine-3-carbonyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)c1cncc(F)c1
InChIInChI=1S/C8H7FN2O4/c9-6-1-5(2-10-3-6)8(14)11-15-4-7(12)13/h1-3H,4H2,(H,11,14)(H,12,13)
InChIKeyNCEODUOESMEMBI-UHFFFAOYSA-N
MW214.15 g/mol
LogP-0.03
Rot. Bonds4

About 2-[(5-fluoropyridine-3-carbonyl)amino]oxyacetic acid

2-[(5-fluoropyridine-3-carbonyl)amino]oxyacetic acid (PubChem CID 104785595) has the molecular formula C8H7FN2O4 and a molecular weight of 214.15 g/mol. Its IUPAC name is 2-[(5-fluoropyridine-3-carbonyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(5-fluoropyridine-3-carbonyl)amino]oxyacetic acid
PubChem CID104785595
Molecular FormulaC8H7FN2O4
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name2-[(5-fluoropyridine-3-carbonyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)c1cncc(F)c1
InChIInChI=1S/C8H7FN2O4/c9-6-1-5(2-10-3-6)8(14)11-15-4-7(12)13/h1-3H,4H2,(H,11,14)(H,12,13)
InChIKeyNCEODUOESMEMBI-UHFFFAOYSA-N
XLogP-0.03
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-carbamoyl-5-fluoropyridine-3-carboxamide
CID 104786685
2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid
CID 104785523
2-[(2,4,6-trifluorobenzoyl)amino]oxyacetic acid
CID 65101242
ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 115694602
1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione
CID 114080622
methyl 3-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 115694530
2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 104785549
2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]oxyacetic acid
CID 166286482
[(E)-4-(5-fluoropyridine-3-carbonyl)oxybut-2-enyl] 5-fluoropyridine-3-carboxylate
CID 6445616
2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid
CID 104785578
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
N-(2-chloropropyl)-5-fluoropyridine-3-carboxamide
CID 104786575

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoropyridine-3-carbonyl)amino]oxyacetic acid?
The IUPAC name of 2-[(5-fluoropyridine-3-carbonyl)amino]oxyacetic acid (CID 104785595) is 2-[(5-fluoropyridine-3-carbonyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(5-fluoropyridine-3-carbonyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(5-fluoropyridine-3-carbonyl)amino]oxyacetic acid is O=C(O)CONC(=O)c1cncc(F)c1.
What is the InChIKey of 2-[(5-fluoropyridine-3-carbonyl)amino]oxyacetic acid?
The InChIKey is NCEODUOESMEMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O4/c9-6-1-5(2-10-3-6)8(14)11-15-4-7(12)13/h1-3H,4H2,(H,11,14)(H,12,13).
What are the key properties of 2-[(5-fluoropyridine-3-carbonyl)amino]oxyacetic acid?
2-[(5-fluoropyridine-3-carbonyl)amino]oxyacetic acid has a molecular weight of 214.15 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoropyridine-3-carbonyl)amino]oxyacetic acid is sourced from PubChem (CID 104785595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).