ethyl 2-(5-amino-3-fluoro-2-pyridinyl)acetate

C9H11FN2O2 — CID 133096784

IUPACethyl 2-(5-amino-3-fluoro-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1ncc(N)cc1F
InChIInChI=1S/C9H11FN2O2/c1-2-14-9(13)4-8-7(10)3-6(11)5-12-8/h3,5H,2,4,11H2,1H3
InChIKeyIAUISXUNQLINSZ-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.91
Rot. Bonds3

About ethyl 2-(5-amino-3-fluoro-2-pyridinyl)acetate

ethyl 2-(5-amino-3-fluoro-2-pyridinyl)acetate (PubChem CID 133096784) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is ethyl 2-(5-amino-3-fluoro-2-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-amino-3-fluoro-2-pyridinyl)acetate
PubChem CID133096784
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Nameethyl 2-(5-amino-3-fluoro-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1ncc(N)cc1F
InChIInChI=1S/C9H11FN2O2/c1-2-14-9(13)4-8-7(10)3-6(11)5-12-8/h3,5H,2,4,11H2,1H3
InChIKeyIAUISXUNQLINSZ-UHFFFAOYSA-N
XLogP0.91
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-amino-3-fluoropyridine-2-carboxylate
CID 119005075
ethyl 2-[5-bromo-3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134683899
ethyl 2-[3-amino-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134671268
ethyl 2-[4-(bromomethyl)-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 133104108
ethyl 2-(3-cyano-5-fluoro-2-pyridinyl)acetate
CID 133097544
ethyl 2-[3-(difluoromethyl)-5-fluoro-4-nitro-2-pyridinyl]acetate
CID 133104912
ethyl 2-(4-bromo-6-fluoro-3-pyridinyl)acetate
CID 133098174
ethyl 2-(3-chloro-5-hydroxy-2-pyridinyl)acetate
CID 133060978
ethyl 2-(2-amino-5-fluoro-3-pyridinyl)acetate;hydrobromide
CID 66789137
ethyl 2-[3-amino-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 134683603
ethyl 2-[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134676216
ethyl 2-[6-amino-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 134670432

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-amino-3-fluoro-2-pyridinyl)acetate?
The IUPAC name of ethyl 2-(5-amino-3-fluoro-2-pyridinyl)acetate (CID 133096784) is ethyl 2-(5-amino-3-fluoro-2-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(5-amino-3-fluoro-2-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(5-amino-3-fluoro-2-pyridinyl)acetate is CCOC(=O)Cc1ncc(N)cc1F.
What is the InChIKey of ethyl 2-(5-amino-3-fluoro-2-pyridinyl)acetate?
The InChIKey is IAUISXUNQLINSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-2-14-9(13)4-8-7(10)3-6(11)5-12-8/h3,5H,2,4,11H2,1H3.
What are the key properties of ethyl 2-(5-amino-3-fluoro-2-pyridinyl)acetate?
ethyl 2-(5-amino-3-fluoro-2-pyridinyl)acetate has a molecular weight of 198.20 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-amino-3-fluoro-2-pyridinyl)acetate is sourced from PubChem (CID 133096784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).