ethyl 2-(2,3-difluoroquinolin-6-yl)acetate

C13H11F2NO2 — CID 122658727

IUPACethyl 2-(2,3-difluoroquinolin-6-yl)acetate
SMILESCCOC(=O)Cc1ccc2nc(F)c(F)cc2c1
InChIInChI=1S/C13H11F2NO2/c1-2-18-12(17)6-8-3-4-11-9(5-8)7-10(14)13(15)16-11/h3-5,7H,2,6H2,1H3
InChIKeyLRIZMIIWSLJNAT-UHFFFAOYSA-N
MW251.23 g/mol
LogP2.62
Rot. Bonds3

About ethyl 2-(2,3-difluoroquinolin-6-yl)acetate

ethyl 2-(2,3-difluoroquinolin-6-yl)acetate (PubChem CID 122658727) has the molecular formula C13H11F2NO2 and a molecular weight of 251.23 g/mol. Its IUPAC name is ethyl 2-(2,3-difluoroquinolin-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3-difluoroquinolin-6-yl)acetate
PubChem CID122658727
Molecular FormulaC13H11F2NO2
Molecular Weight251.23 g/mol
Exact Mass251.08
IUPAC Nameethyl 2-(2,3-difluoroquinolin-6-yl)acetate
SMILESCCOC(=O)Cc1ccc2nc(F)c(F)cc2c1
InChIInChI=1S/C13H11F2NO2/c1-2-18-12(17)6-8-3-4-11-9(5-8)7-10(14)13(15)16-11/h3-5,7H,2,6H2,1H3
InChIKeyLRIZMIIWSLJNAT-UHFFFAOYSA-N
XLogP2.62
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-difluoroquinolin-6-yl)acetic acid;methyl acetate
CID 67429735
ethyl 2-(2-methoxyquinolin-6-yl)acetate
CID 21498743
ethyl 2-(2-methylindazol-5-yl)acetate
CID 155343728
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
ethyl 2-isoquinolin-6-ylacetate
CID 53408596
ethyl 2-(4-trimethylsilylphenyl)acetate
CID 125466611
ethyl 2-phenylacetate
CID 7590
[3-(2-ethoxy-2-oxoethyl)phenyl]boronic acid
CID 53216302
ethyl 2-(3-sulfanylphenyl)acetate
CID 66764945
ethyl 2-(3-iodo-4-methylphenyl)acetate
CID 134638159
ethyl 2-(3-bromo-4-ethylphenyl)acetate
CID 82643388
ethyl 2-(3-methyl-4-sulfanylphenyl)acetate
CID 123806399

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-difluoroquinolin-6-yl)acetate?
The IUPAC name of ethyl 2-(2,3-difluoroquinolin-6-yl)acetate (CID 122658727) is ethyl 2-(2,3-difluoroquinolin-6-yl)acetate.
What is the SMILES notation for ethyl 2-(2,3-difluoroquinolin-6-yl)acetate?
The canonical SMILES for ethyl 2-(2,3-difluoroquinolin-6-yl)acetate is CCOC(=O)Cc1ccc2nc(F)c(F)cc2c1.
What is the InChIKey of ethyl 2-(2,3-difluoroquinolin-6-yl)acetate?
The InChIKey is LRIZMIIWSLJNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2/c1-2-18-12(17)6-8-3-4-11-9(5-8)7-10(14)13(15)16-11/h3-5,7H,2,6H2,1H3.
What are the key properties of ethyl 2-(2,3-difluoroquinolin-6-yl)acetate?
ethyl 2-(2,3-difluoroquinolin-6-yl)acetate has a molecular weight of 251.23 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-difluoroquinolin-6-yl)acetate is sourced from PubChem (CID 122658727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).