ethyl 2-fluoro-2-(6-methoxy-3-nitro-2-pyridinyl)acetate

C10H11FN2O5 — CID 155933039

IUPACethyl 2-fluoro-2-(6-methoxy-3-nitro-2-pyridinyl)acetate
SMILESCCOC(=O)C(F)c1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H11FN2O5/c1-3-18-10(14)8(11)9-6(13(15)16)4-5-7(12-9)17-2/h4-5,8H,3H2,1-2H3
InChIKeyAXWYWYJTZRSJNW-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.57
Rot. Bonds5

About ethyl 2-fluoro-2-(6-methoxy-3-nitro-2-pyridinyl)acetate

ethyl 2-fluoro-2-(6-methoxy-3-nitro-2-pyridinyl)acetate (PubChem CID 155933039) has the molecular formula C10H11FN2O5 and a molecular weight of 258.20 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(6-methoxy-3-nitro-2-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(6-methoxy-3-nitro-2-pyridinyl)acetate
PubChem CID155933039
Molecular FormulaC10H11FN2O5
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Nameethyl 2-fluoro-2-(6-methoxy-3-nitro-2-pyridinyl)acetate
SMILESCCOC(=O)C(F)c1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H11FN2O5/c1-3-18-10(14)8(11)9-6(13(15)16)4-5-7(12-9)17-2/h4-5,8H,3H2,1-2H3
InChIKeyAXWYWYJTZRSJNW-UHFFFAOYSA-N
XLogP1.57
TPSA91.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(6-methoxy-3-nitro-2-pyridinyl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(6-methoxy-3-nitro-2-pyridinyl)acetate (CID 155933039) is ethyl 2-fluoro-2-(6-methoxy-3-nitro-2-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(6-methoxy-3-nitro-2-pyridinyl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(6-methoxy-3-nitro-2-pyridinyl)acetate is CCOC(=O)C(F)c1nc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of ethyl 2-fluoro-2-(6-methoxy-3-nitro-2-pyridinyl)acetate?
The InChIKey is AXWYWYJTZRSJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O5/c1-3-18-10(14)8(11)9-6(13(15)16)4-5-7(12-9)17-2/h4-5,8H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-(6-methoxy-3-nitro-2-pyridinyl)acetate?
ethyl 2-fluoro-2-(6-methoxy-3-nitro-2-pyridinyl)acetate has a molecular weight of 258.20 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(6-methoxy-3-nitro-2-pyridinyl)acetate is sourced from PubChem (CID 155933039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).