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

C9H7FN4O2S — CID 105382764

IUPAC3-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid
SMILESCn1cnnc1Sc1nccc(C(=O)O)c1F
InChIInChI=1S/C9H7FN4O2S/c1-14-4-12-13-9(14)17-7-6(10)5(8(15)16)2-3-11-7/h2-4H,1H3,(H,15,16)
InChIKeyRBZVYZQCBHYUFU-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.20
Rot. Bonds3

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

3-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid (PubChem CID 105382764) has the molecular formula C9H7FN4O2S and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid
PubChem CID105382764
Molecular FormulaC9H7FN4O2S
Molecular Weight254.25 g/mol
Exact Mass254.03
IUPAC Name3-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid
SMILESCn1cnnc1Sc1nccc(C(=O)O)c1F
InChIInChI=1S/C9H7FN4O2S/c1-14-4-12-13-9(14)17-7-6(10)5(8(15)16)2-3-11-7/h2-4H,1H3,(H,15,16)
InChIKeyRBZVYZQCBHYUFU-UHFFFAOYSA-N
XLogP1.20
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid (CID 105382764) is 3-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid is Cn1cnnc1Sc1nccc(C(=O)O)c1F.
What is the InChIKey of 3-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid?
The InChIKey is RBZVYZQCBHYUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O2S/c1-14-4-12-13-9(14)17-7-6(10)5(8(15)16)2-3-11-7/h2-4H,1H3,(H,15,16).
What are the key properties of 3-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid?
3-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 105382764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).