6-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid

C14H11FN2O3S — CID 63641644

IUPAC6-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(CSc1ccc(F)cc1)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C14H11FN2O3S/c15-9-4-6-10(7-5-9)21-8-13(18)17-12-3-1-2-11(16-12)14(19)20/h1-7H,8H2,(H,19,20)(H,16,17,18)
InChIKeyHCKLVBGSVGOQPF-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.65
Rot. Bonds5

About 6-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid

6-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid (PubChem CID 63641644) has the molecular formula C14H11FN2O3S and a molecular weight of 306.32 g/mol. Its IUPAC name is 6-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid
PubChem CID63641644
Molecular FormulaC14H11FN2O3S
Molecular Weight306.32 g/mol
Exact Mass306.05
IUPAC Name6-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(CSc1ccc(F)cc1)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C14H11FN2O3S/c15-9-4-6-10(7-5-9)21-8-13(18)17-12-3-1-2-11(16-12)14(19)20/h1-7H,8H2,(H,19,20)(H,16,17,18)
InChIKeyHCKLVBGSVGOQPF-UHFFFAOYSA-N
XLogP2.65
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid (CID 63641644) is 6-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid is O=C(CSc1ccc(F)cc1)Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid?
The InChIKey is HCKLVBGSVGOQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S/c15-9-4-6-10(7-5-9)21-8-13(18)17-12-3-1-2-11(16-12)14(19)20/h1-7H,8H2,(H,19,20)(H,16,17,18).
What are the key properties of 6-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid?
6-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid has a molecular weight of 306.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63641644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).