ethyl 2-(2-amino-3-fluoro-4-pyridinyl)acetate

C9H11FN2O2 — CID 133096427

IUPACethyl 2-(2-amino-3-fluoro-4-pyridinyl)acetate
SMILESCCOC(=O)Cc1ccnc(N)c1F
InChIInChI=1S/C9H11FN2O2/c1-2-14-7(13)5-6-3-4-12-9(11)8(6)10/h3-4H,2,5H2,1H3,(H2,11,12)
InChIKeyDQIWHQFLIIJXMD-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.91
Rot. Bonds3

About ethyl 2-(2-amino-3-fluoro-4-pyridinyl)acetate

ethyl 2-(2-amino-3-fluoro-4-pyridinyl)acetate (PubChem CID 133096427) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is ethyl 2-(2-amino-3-fluoro-4-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-amino-3-fluoro-4-pyridinyl)acetate
PubChem CID133096427
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Nameethyl 2-(2-amino-3-fluoro-4-pyridinyl)acetate
SMILESCCOC(=O)Cc1ccnc(N)c1F
InChIInChI=1S/C9H11FN2O2/c1-2-14-7(13)5-6-3-4-12-9(11)8(6)10/h3-4H,2,5H2,1H3,(H2,11,12)
InChIKeyDQIWHQFLIIJXMD-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 2-(3-fluoro-4-methyl-2-pyridinyl)acetate
CID 133096616
ethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate
CID 133091163
ethyl 2-(2-amino-3-bromo-4-pyridinyl)acetate
CID 133098465
ethyl 2-(3-amino-2-bromo-4-pyridinyl)acetate
CID 133098459
ethyl 2-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 171028667
ethyl 2-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 133090947
ethyl 2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetate
CID 23000617
ethyl 2-[2-iodo-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 133096536
ethyl 2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133098254
methyl 2-(2-amino-3-methyl-4-pyridinyl)acetate
CID 130867118
ethyl 2-(2-amino-5-fluoro-3-pyridinyl)acetate;hydrobromide
CID 66789137
ethyl 2-[4-amino-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 133098143

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-3-fluoro-4-pyridinyl)acetate?
The IUPAC name of ethyl 2-(2-amino-3-fluoro-4-pyridinyl)acetate (CID 133096427) is ethyl 2-(2-amino-3-fluoro-4-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(2-amino-3-fluoro-4-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(2-amino-3-fluoro-4-pyridinyl)acetate is CCOC(=O)Cc1ccnc(N)c1F.
What is the InChIKey of ethyl 2-(2-amino-3-fluoro-4-pyridinyl)acetate?
The InChIKey is DQIWHQFLIIJXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-2-14-7(13)5-6-3-4-12-9(11)8(6)10/h3-4H,2,5H2,1H3,(H2,11,12).
What are the key properties of ethyl 2-(2-amino-3-fluoro-4-pyridinyl)acetate?
ethyl 2-(2-amino-3-fluoro-4-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-(2-amino-3-fluoro-4-pyridinyl)acetate is sourced from PubChem (CID 133096427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).