2-aminoacetic acid;6-fluoropyridine-3-carbaldehyde

C8H9FN2O3 — CID 174969786

IUPAC2-aminoacetic acid;6-fluoropyridine-3-carbaldehyde
SMILESNCC(=O)O.O=Cc1ccc(F)nc1
InChIInChI=1S/C6H4FNO.C2H5NO2/c7-6-2-1-5(4-9)3-8-6;3-1-2(4)5/h1-4H;1,3H2,(H,4,5)
InChIKeyFENVIBUTACSEKS-UHFFFAOYSA-N
MW200.17 g/mol
LogP0.06
Rot. Bonds2

About 2-aminoacetic acid;6-fluoropyridine-3-carbaldehyde

2-aminoacetic acid;6-fluoropyridine-3-carbaldehyde (PubChem CID 174969786) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is 2-aminoacetic acid;6-fluoropyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-aminoacetic acid;6-fluoropyridine-3-carbaldehyde
PubChem CID174969786
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name2-aminoacetic acid;6-fluoropyridine-3-carbaldehyde
SMILESNCC(=O)O.O=Cc1ccc(F)nc1
InChIInChI=1S/C6H4FNO.C2H5NO2/c7-6-2-1-5(4-9)3-8-6;3-1-2(4)5/h1-4H;1,3H2,(H,4,5)
InChIKeyFENVIBUTACSEKS-UHFFFAOYSA-N
XLogP0.06
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-aminoacetic acid;6-fluoropyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;6-fluoropyridine-3-carbaldehyde?
The IUPAC name of 2-aminoacetic acid;6-fluoropyridine-3-carbaldehyde (CID 174969786) is 2-aminoacetic acid;6-fluoropyridine-3-carbaldehyde.
What is the SMILES notation for 2-aminoacetic acid;6-fluoropyridine-3-carbaldehyde?
The canonical SMILES for 2-aminoacetic acid;6-fluoropyridine-3-carbaldehyde is NCC(=O)O.O=Cc1ccc(F)nc1.
What is the InChIKey of 2-aminoacetic acid;6-fluoropyridine-3-carbaldehyde?
The InChIKey is FENVIBUTACSEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO.C2H5NO2/c7-6-2-1-5(4-9)3-8-6;3-1-2(4)5/h1-4H;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;6-fluoropyridine-3-carbaldehyde?
2-aminoacetic acid;6-fluoropyridine-3-carbaldehyde has a molecular weight of 200.17 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;6-fluoropyridine-3-carbaldehyde is sourced from PubChem (CID 174969786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).