2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid

C8H7FN2O3 — CID 175904627

IUPAC2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc([18F])nc1
InChIInChI=1S/C8H7FN2O3/c9-6-2-1-5(3-10-6)8(14)11-4-7(12)13/h1-3H,4H2,(H,11,14)(H,12,13)/i9-1
InChIKeySBVQALQZWVDSDR-RVRFMXCPSA-N
MW197.16 g/mol
LogP0.04
Rot. Bonds3

About 2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid

2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid (PubChem CID 175904627) has the molecular formula C8H7FN2O3 and a molecular weight of 197.16 g/mol. Its IUPAC name is 2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid
PubChem CID175904627
Molecular FormulaC8H7FN2O3
Molecular Weight197.16 g/mol
Exact Mass197.05
IUPAC Name2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc([18F])nc1
InChIInChI=1S/C8H7FN2O3/c9-6-2-1-5(3-10-6)8(14)11-4-7(12)13/h1-3H,4H2,(H,11,14)(H,12,13)/i9-1
InChIKeySBVQALQZWVDSDR-RVRFMXCPSA-N
XLogP0.04
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide
CID 115668746
N-[2-(diethylamino)-2-oxoethyl]-6-fluoropyridine-3-carboxamide
CID 112696045
6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 63980450
N-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide
CID 63978782
N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide
CID 63978211
6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 63972769
6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 115746110
2-[(2-fluorosulfanylpyrimidine-5-carbonyl)amino]acetic acid
CID 164597518
6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide
CID 115877668
6-fluoro-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 63973138
6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 102685105
6-fluoro-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 63978404

Frequently Asked Questions

What is the IUPAC name of 2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid (CID 175904627) is 2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1ccc([18F])nc1.
What is the InChIKey of 2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid?
The InChIKey is SBVQALQZWVDSDR-RVRFMXCPSA-N. The full InChI is InChI=1S/C8H7FN2O3/c9-6-2-1-5(3-10-6)8(14)11-4-7(12)13/h1-3H,4H2,(H,11,14)(H,12,13)/i9-1.
What are the key properties of 2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid?
2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid has a molecular weight of 197.16 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 175904627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).