ethyl 2-(6-fluoro-5-methoxy-2-pyridinyl)acetate

C10H12FNO3 — CID 133096473

IUPACethyl 2-(6-fluoro-5-methoxy-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1ccc(OC)c(F)n1
InChIInChI=1S/C10H12FNO3/c1-3-15-9(13)6-7-4-5-8(14-2)10(11)12-7/h4-5H,3,6H2,1-2H3
InChIKeyZWGLTHMFPIHJAM-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.33
Rot. Bonds4

About ethyl 2-(6-fluoro-5-methoxy-2-pyridinyl)acetate

ethyl 2-(6-fluoro-5-methoxy-2-pyridinyl)acetate (PubChem CID 133096473) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is ethyl 2-(6-fluoro-5-methoxy-2-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-fluoro-5-methoxy-2-pyridinyl)acetate
PubChem CID133096473
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Nameethyl 2-(6-fluoro-5-methoxy-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1ccc(OC)c(F)n1
InChIInChI=1S/C10H12FNO3/c1-3-15-9(13)6-7-4-5-8(14-2)10(11)12-7/h4-5H,3,6H2,1-2H3
InChIKeyZWGLTHMFPIHJAM-UHFFFAOYSA-N
XLogP1.33
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-(6-fluoro-5-methoxy-2-pyridinyl)acetate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-(5-bromo-6-fluoro-2-pyridinyl)acetate
CID 133098162
ethyl 2-(6-bromo-5-fluoro-2-pyridinyl)acetate
CID 133098158
ethyl 2-[6-(difluoromethyl)-2-fluoro-4-methoxy-3-pyridinyl]acetate
CID 133105470
ethyl 2-(5-hydroxy-6-nitro-2-pyridinyl)acetate
CID 133096630
ethyl 2-[5-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 133096647
ethyl 2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 15336769
CID 164570671
CID 164570671
methyl 2-(6-bromo-5-methoxy-2-pyridinyl)acetate
CID 133098094
ethyl 2-[6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134672914
ethyl 2-(2-cyano-3-fluoro-4-methoxyphenyl)acetate
CID 134653984
[5-(2-ethoxy-2-oxoethyl)-2-methoxyphenyl]boronic acid
CID 90360455
ethyl 2-(3-bromo-4-methoxy-2-methylphenyl)acetate
CID 171001780

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-fluoro-5-methoxy-2-pyridinyl)acetate?
The IUPAC name of ethyl 2-(6-fluoro-5-methoxy-2-pyridinyl)acetate (CID 133096473) is ethyl 2-(6-fluoro-5-methoxy-2-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(6-fluoro-5-methoxy-2-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(6-fluoro-5-methoxy-2-pyridinyl)acetate is CCOC(=O)Cc1ccc(OC)c(F)n1.
What is the InChIKey of ethyl 2-(6-fluoro-5-methoxy-2-pyridinyl)acetate?
The InChIKey is ZWGLTHMFPIHJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-3-15-9(13)6-7-4-5-8(14-2)10(11)12-7/h4-5H,3,6H2,1-2H3.
What are the key properties of ethyl 2-(6-fluoro-5-methoxy-2-pyridinyl)acetate?
ethyl 2-(6-fluoro-5-methoxy-2-pyridinyl)acetate has a molecular weight of 213.21 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-fluoro-5-methoxy-2-pyridinyl)acetate is sourced from PubChem (CID 133096473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).