3-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid

C9H6FN3O2S2 — CID 105382795

IUPAC3-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
SMILESCc1nnc(Sc2nccc(C(=O)O)c2F)s1
InChIInChI=1S/C9H6FN3O2S2/c1-4-12-13-9(16-4)17-7-6(10)5(8(14)15)2-3-11-7/h2-3H,1H3,(H,14,15)
InChIKeyQROJAPLBPKUXKP-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.23
Rot. Bonds3

About 3-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid

3-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid (PubChem CID 105382795) has the molecular formula C9H6FN3O2S2 and a molecular weight of 271.30 g/mol. Its IUPAC name is 3-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
PubChem CID105382795
Molecular FormulaC9H6FN3O2S2
Molecular Weight271.30 g/mol
Exact Mass270.99
IUPAC Name3-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
SMILESCc1nnc(Sc2nccc(C(=O)O)c2F)s1
InChIInChI=1S/C9H6FN3O2S2/c1-4-12-13-9(16-4)17-7-6(10)5(8(14)15)2-3-11-7/h2-3H,1H3,(H,14,15)
InChIKeyQROJAPLBPKUXKP-UHFFFAOYSA-N
XLogP2.23
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid (CID 105382795) is 3-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid is Cc1nnc(Sc2nccc(C(=O)O)c2F)s1.
What is the InChIKey of 3-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid?
The InChIKey is QROJAPLBPKUXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O2S2/c1-4-12-13-9(16-4)17-7-6(10)5(8(14)15)2-3-11-7/h2-3H,1H3,(H,14,15).
What are the key properties of 3-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid?
3-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid has a molecular weight of 271.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 105382795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).