2-[2-[(5-fluoropyridine-2-carbonyl)amino]ethylsulfanyl]acetic acid

C10H11FN2O3S — CID 120526510

IUPAC2-[2-[(5-fluoropyridine-2-carbonyl)amino]ethylsulfanyl]acetic acid
SMILESO=C(O)CSCCNC(=O)c1ccc(F)cn1
InChIInChI=1S/C10H11FN2O3S/c11-7-1-2-8(13-5-7)10(16)12-3-4-17-6-9(14)15/h1-2,5H,3-4,6H2,(H,12,16)(H,14,15)
InChIKeyRHWGCGBAURCMKW-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.77
Rot. Bonds6

About 2-[2-[(5-fluoropyridine-2-carbonyl)amino]ethylsulfanyl]acetic acid

2-[2-[(5-fluoropyridine-2-carbonyl)amino]ethylsulfanyl]acetic acid (PubChem CID 120526510) has the molecular formula C10H11FN2O3S and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[2-[(5-fluoropyridine-2-carbonyl)amino]ethylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-fluoropyridine-2-carbonyl)amino]ethylsulfanyl]acetic acid
PubChem CID120526510
Molecular FormulaC10H11FN2O3S
Molecular Weight258.27 g/mol
Exact Mass258.05
IUPAC Name2-[2-[(5-fluoropyridine-2-carbonyl)amino]ethylsulfanyl]acetic acid
SMILESO=C(O)CSCCNC(=O)c1ccc(F)cn1
InChIInChI=1S/C10H11FN2O3S/c11-7-1-2-8(13-5-7)10(16)12-3-4-17-6-9(14)15/h1-2,5H,3-4,6H2,(H,12,16)(H,14,15)
InChIKeyRHWGCGBAURCMKW-UHFFFAOYSA-N
XLogP0.77
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 106845244
3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104638318
N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 104643146
2-[2-[(3-chloropyridine-4-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526506
2-[2-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241427
2-[2-[[1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241397
4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid
CID 104638128
1-[[(5-fluoropyridine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 104638379
2-[1-[[(5-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 104638357
2-[2-[(6-methoxypyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241900
2-[2-[(3-bromo-5-fluorobenzoyl)amino]ethylsulfanyl]acetic acid
CID 119242061
N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide
CID 107233891

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-fluoropyridine-2-carbonyl)amino]ethylsulfanyl]acetic acid?
The IUPAC name of 2-[2-[(5-fluoropyridine-2-carbonyl)amino]ethylsulfanyl]acetic acid (CID 120526510) is 2-[2-[(5-fluoropyridine-2-carbonyl)amino]ethylsulfanyl]acetic acid.
What is the SMILES notation for 2-[2-[(5-fluoropyridine-2-carbonyl)amino]ethylsulfanyl]acetic acid?
The canonical SMILES for 2-[2-[(5-fluoropyridine-2-carbonyl)amino]ethylsulfanyl]acetic acid is O=C(O)CSCCNC(=O)c1ccc(F)cn1.
What is the InChIKey of 2-[2-[(5-fluoropyridine-2-carbonyl)amino]ethylsulfanyl]acetic acid?
The InChIKey is RHWGCGBAURCMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3S/c11-7-1-2-8(13-5-7)10(16)12-3-4-17-6-9(14)15/h1-2,5H,3-4,6H2,(H,12,16)(H,14,15).
What are the key properties of 2-[2-[(5-fluoropyridine-2-carbonyl)amino]ethylsulfanyl]acetic acid?
2-[2-[(5-fluoropyridine-2-carbonyl)amino]ethylsulfanyl]acetic acid has a molecular weight of 258.27 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-fluoropyridine-2-carbonyl)amino]ethylsulfanyl]acetic acid is sourced from PubChem (CID 120526510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).