ethyl 2-(5-fluoro-6-nitro-3-pyridinyl)propanoate

C10H11FN2O4 — CID 71238529

IUPACethyl 2-(5-fluoro-6-nitro-3-pyridinyl)propanoate
SMILESCCOC(=O)C(C)c1cnc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C10H11FN2O4/c1-3-17-10(14)6(2)7-4-8(11)9(12-5-7)13(15)16/h4-6H,3H2,1-2H3
InChIKeyIQLNDFIAKXGTBX-UHFFFAOYSA-N
MW242.21 g/mol
LogP1.80
Rot. Bonds4

About ethyl 2-(5-fluoro-6-nitro-3-pyridinyl)propanoate

ethyl 2-(5-fluoro-6-nitro-3-pyridinyl)propanoate (PubChem CID 71238529) has the molecular formula C10H11FN2O4 and a molecular weight of 242.21 g/mol. Its IUPAC name is ethyl 2-(5-fluoro-6-nitro-3-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(5-fluoro-6-nitro-3-pyridinyl)propanoate
PubChem CID71238529
Molecular FormulaC10H11FN2O4
Molecular Weight242.21 g/mol
Exact Mass242.07
IUPAC Nameethyl 2-(5-fluoro-6-nitro-3-pyridinyl)propanoate
SMILESCCOC(=O)C(C)c1cnc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C10H11FN2O4/c1-3-17-10(14)6(2)7-4-8(11)9(12-5-7)13(15)16/h4-6H,3H2,1-2H3
InChIKeyIQLNDFIAKXGTBX-UHFFFAOYSA-N
XLogP1.80
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-(5-fluoro-6-nitro-3-pyridinyl)propanoate 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 ethyl 2-(5-fluoro-6-nitro-3-pyridinyl)propanoate?
The IUPAC name of ethyl 2-(5-fluoro-6-nitro-3-pyridinyl)propanoate (CID 71238529) is ethyl 2-(5-fluoro-6-nitro-3-pyridinyl)propanoate.
What is the SMILES notation for ethyl 2-(5-fluoro-6-nitro-3-pyridinyl)propanoate?
The canonical SMILES for ethyl 2-(5-fluoro-6-nitro-3-pyridinyl)propanoate is CCOC(=O)C(C)c1cnc([N+](=O)[O-])c(F)c1.
What is the InChIKey of ethyl 2-(5-fluoro-6-nitro-3-pyridinyl)propanoate?
The InChIKey is IQLNDFIAKXGTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O4/c1-3-17-10(14)6(2)7-4-8(11)9(12-5-7)13(15)16/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-(5-fluoro-6-nitro-3-pyridinyl)propanoate?
ethyl 2-(5-fluoro-6-nitro-3-pyridinyl)propanoate has a molecular weight of 242.21 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-fluoro-6-nitro-3-pyridinyl)propanoate is sourced from PubChem (CID 71238529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).