ethyl 2-fluoro-3-pyridin-3-ylpropanoate

C10H12FNO2 — CID 55265604

IUPACethyl 2-fluoro-3-pyridin-3-ylpropanoate
SMILESCCOC(=O)C(F)Cc1cccnc1
InChIInChI=1S/C10H12FNO2/c1-2-14-10(13)9(11)6-8-4-3-5-12-7-8/h3-5,7,9H,2,6H2,1H3
InChIKeyUFDPUOABDWOBSZ-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.53
Rot. Bonds4

About ethyl 2-fluoro-3-pyridin-3-ylpropanoate

ethyl 2-fluoro-3-pyridin-3-ylpropanoate (PubChem CID 55265604) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is ethyl 2-fluoro-3-pyridin-3-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-fluoro-3-pyridin-3-ylpropanoate
PubChem CID55265604
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Nameethyl 2-fluoro-3-pyridin-3-ylpropanoate
SMILESCCOC(=O)C(F)Cc1cccnc1
InChIInChI=1S/C10H12FNO2/c1-2-14-10(13)9(11)6-8-4-3-5-12-7-8/h3-5,7,9H,2,6H2,1H3
InChIKeyUFDPUOABDWOBSZ-UHFFFAOYSA-N
XLogP1.53
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-(1-pyridin-3-ylpropan-2-yl)propanedioate
CID 67382967
methyl 2-(pyridin-3-ylmethyl)pentanoate
CID 174237588
ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690912
2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate
CID 142428515
3-(2,2-dimethoxyethyl)pyridine
CID 118705230
2-methyl-1-pyridin-3-ylpentan-3-one
CID 57063498
ethyl N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]carbamate
CID 110361056
ethyl 3-oxo-4-pyridin-3-ylbutanoate
CID 62551209
pyridin-3-ylmethyl 2-propylpentanoate
CID 10243172
ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate
CID 61344596
3-amino-N,N-diethyl-2-oxo-4-pyridin-3-ylbutanamide
CID 143418820
iron(3+);tris(3-(pyridin-3-ylmethyl)pentane-2,4-dione)
CID 159970189

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-3-pyridin-3-ylpropanoate?
The IUPAC name of ethyl 2-fluoro-3-pyridin-3-ylpropanoate (CID 55265604) is ethyl 2-fluoro-3-pyridin-3-ylpropanoate.
What is the SMILES notation for ethyl 2-fluoro-3-pyridin-3-ylpropanoate?
The canonical SMILES for ethyl 2-fluoro-3-pyridin-3-ylpropanoate is CCOC(=O)C(F)Cc1cccnc1.
What is the InChIKey of ethyl 2-fluoro-3-pyridin-3-ylpropanoate?
The InChIKey is UFDPUOABDWOBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-2-14-10(13)9(11)6-8-4-3-5-12-7-8/h3-5,7,9H,2,6H2,1H3.
What are the key properties of ethyl 2-fluoro-3-pyridin-3-ylpropanoate?
ethyl 2-fluoro-3-pyridin-3-ylpropanoate has a molecular weight of 197.21 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-3-pyridin-3-ylpropanoate is sourced from PubChem (CID 55265604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).