2-(5-fluoro-2-pyridinyl)thiolane-2-carboxylic acid

C10H10FNO2S — CID 130545327

IUPAC2-(5-fluoro-2-pyridinyl)thiolane-2-carboxylic acid
SMILESO=C(O)C1(c2ccc(F)cn2)CCCS1
InChIInChI=1S/C10H10FNO2S/c11-7-2-3-8(12-6-7)10(9(13)14)4-1-5-15-10/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyVSUMGNLHFAIZLE-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.03
Rot. Bonds2

About 2-(5-fluoro-2-pyridinyl)thiolane-2-carboxylic acid

2-(5-fluoro-2-pyridinyl)thiolane-2-carboxylic acid (PubChem CID 130545327) has the molecular formula C10H10FNO2S and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)thiolane-2-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)thiolane-2-carboxylic acid
PubChem CID130545327
Molecular FormulaC10H10FNO2S
Molecular Weight227.26 g/mol
Exact Mass227.04
IUPAC Name2-(5-fluoro-2-pyridinyl)thiolane-2-carboxylic acid
SMILESO=C(O)C1(c2ccc(F)cn2)CCCS1
InChIInChI=1S/C10H10FNO2S/c11-7-2-3-8(12-6-7)10(9(13)14)4-1-5-15-10/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyVSUMGNLHFAIZLE-UHFFFAOYSA-N
XLogP2.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-2-ylthiane-2-carboxylic acid
CID 102543650
2-(3-bromo-4-pyridinyl)thiolane-2-carboxylic acid
CID 130545356
methyl 1-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate
CID 130655929
1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 65481473
[1-(5-fluoro-2-pyridinyl)cyclopentyl]methanamine
CID 130544640
4-(cyclopropylmethoxy)-4-(5-fluoro-2-pyridinyl)-1-phenylcyclohexane-1-carboxylic acid
CID 59442570
N'-(5-fluoro-2-pyridinyl)-1-methylcyclobutane-1-carbohydrazide
CID 137354234
1-[[(5-fluoropyridine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 104638379
3-amino-1-(5-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325252
1-(5-bromo-2-pyridinyl)cyclobutane-1-carboxylic acid
CID 67973232
1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 83129243
N-(5-fluoro-2-pyridinyl)-1-methylsulfanylcyclopropane-1-carboxamide
CID 126770682

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)thiolane-2-carboxylic acid?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)thiolane-2-carboxylic acid (CID 130545327) is 2-(5-fluoro-2-pyridinyl)thiolane-2-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)thiolane-2-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)thiolane-2-carboxylic acid is O=C(O)C1(c2ccc(F)cn2)CCCS1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)thiolane-2-carboxylic acid?
The InChIKey is VSUMGNLHFAIZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2S/c11-7-2-3-8(12-6-7)10(9(13)14)4-1-5-15-10/h2-3,6H,1,4-5H2,(H,13,14).
What are the key properties of 2-(5-fluoro-2-pyridinyl)thiolane-2-carboxylic acid?
2-(5-fluoro-2-pyridinyl)thiolane-2-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)thiolane-2-carboxylic acid is sourced from PubChem (CID 130545327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).