ethyl 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetate

C9H11FN2O2S — CID 79357068

IUPACethyl 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetate
SMILESCCOC(=O)C(F)Sc1ccc(N)cn1
InChIInChI=1S/C9H11FN2O2S/c1-2-14-9(13)8(10)15-7-4-3-6(11)5-12-7/h3-5,8H,2,11H2,1H3
InChIKeyNGDIUYASGIBYFN-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.61
Rot. Bonds4

About ethyl 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetate

ethyl 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetate (PubChem CID 79357068) has the molecular formula C9H11FN2O2S and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetate
PubChem CID79357068
Molecular FormulaC9H11FN2O2S
Molecular Weight230.26 g/mol
Exact Mass230.05
IUPAC Nameethyl 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetate
SMILESCCOC(=O)C(F)Sc1ccc(N)cn1
InChIInChI=1S/C9H11FN2O2S/c1-2-14-9(13)8(10)15-7-4-3-6(11)5-12-7/h3-5,8H,2,11H2,1H3
InChIKeyNGDIUYASGIBYFN-UHFFFAOYSA-N
XLogP1.61
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetate?
The IUPAC name of ethyl 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetate (CID 79357068) is ethyl 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetate.
What is the SMILES notation for ethyl 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetate?
The canonical SMILES for ethyl 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetate is CCOC(=O)C(F)Sc1ccc(N)cn1.
What is the InChIKey of ethyl 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetate?
The InChIKey is NGDIUYASGIBYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2S/c1-2-14-9(13)8(10)15-7-4-3-6(11)5-12-7/h3-5,8H,2,11H2,1H3.
What are the key properties of ethyl 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetate?
ethyl 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetate has a molecular weight of 230.26 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetate is sourced from PubChem (CID 79357068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).