2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetic acid

C7H7FN2O2S — CID 79357069

IUPAC2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetic acid
SMILESNc1ccc(SC(F)C(=O)O)nc1
InChIInChI=1S/C7H7FN2O2S/c8-6(7(11)12)13-5-2-1-4(9)3-10-5/h1-3,6H,9H2,(H,11,12)
InChIKeyMKWJXQKLIDVAFA-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.14
Rot. Bonds3

About 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetic acid

2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetic acid (PubChem CID 79357069) has the molecular formula C7H7FN2O2S and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetic acid.

Molecular Properties

Compound Name2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetic acid
PubChem CID79357069
Molecular FormulaC7H7FN2O2S
Molecular Weight202.21 g/mol
Exact Mass202.02
IUPAC Name2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetic acid
SMILESNc1ccc(SC(F)C(=O)O)nc1
InChIInChI=1S/C7H7FN2O2S/c8-6(7(11)12)13-5-2-1-4(9)3-10-5/h1-3,6H,9H2,(H,11,12)
InChIKeyMKWJXQKLIDVAFA-UHFFFAOYSA-N
XLogP1.14
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(Pyridin-2-ylsulfanyl)-acetic acid
CID 654661
2-((Carboxymethyl)sulfanyl)-1-pyridiniumolate
CID 2063326
2-[(3-Nitro-2-pyridyl)thio]acetic acid
CID 265630
6-(Phenylsulfanyl)-3-pyridinamine
CID 699576
3-(Pyridin-2-ylsulfanyl)propanoic acid
CID 2767905
(4-Pyridylthio)acetic acid
CID 82574
N-(2-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2055031
1H-pyrido(2,3-b)(1,4)thiazin-2(3H)-one
CID 29110
2-{[5-(Trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
CID 706722
6-(Methylsulfanyl)pyridin-3-amine
CID 10261179
2-phenylsulfanyl-N-pyridin-3-ylacetamide
CID 801624
6-(Methylsulfonyl)pyridin-3-amine
CID 20038977

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetic acid?
The IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetic acid (CID 79357069) is 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetic acid.
What is the SMILES notation for 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetic acid?
The canonical SMILES for 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetic acid is Nc1ccc(SC(F)C(=O)O)nc1.
What is the InChIKey of 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetic acid?
The InChIKey is MKWJXQKLIDVAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2S/c8-6(7(11)12)13-5-2-1-4(9)3-10-5/h1-3,6H,9H2,(H,11,12).
What are the key properties of 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetic acid?
2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetic acid has a molecular weight of 202.21 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-pyridinyl)sulfanyl]-2-fluoroacetic acid is sourced from PubChem (CID 79357069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).