(5-methyl-4-oxopyrazolo[4,5-c]pyridin-1-yl) thiohypofluorite

C7H6FN3OS — CID 164917402

IUPAC(5-methyl-4-oxopyrazolo[4,5-c]pyridin-1-yl) thiohypofluorite
SMILESCn1ccc2c(cnn2SF)c1=O
InChIInChI=1S/C7H6FN3OS/c1-10-3-2-6-5(7(10)12)4-9-11(6)13-8/h2-4H,1H3
InChIKeyPPWVASXCJMNTFC-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.12
Rot. Bonds1

About (5-methyl-4-oxopyrazolo[4,5-c]pyridin-1-yl) thiohypofluorite

(5-methyl-4-oxopyrazolo[4,5-c]pyridin-1-yl) thiohypofluorite (PubChem CID 164917402) has the molecular formula C7H6FN3OS and a molecular weight of 199.21 g/mol. Its IUPAC name is (5-methyl-4-oxopyrazolo[4,5-c]pyridin-1-yl) thiohypofluorite.

Molecular Properties

Compound Name(5-methyl-4-oxopyrazolo[4,5-c]pyridin-1-yl) thiohypofluorite
PubChem CID164917402
Molecular FormulaC7H6FN3OS
Molecular Weight199.21 g/mol
Exact Mass199.02
IUPAC Name(5-methyl-4-oxopyrazolo[4,5-c]pyridin-1-yl) thiohypofluorite
SMILESCn1ccc2c(cnn2SF)c1=O
InChIInChI=1S/C7H6FN3OS/c1-10-3-2-6-5(7(10)12)4-9-11(6)13-8/h2-4H,1H3
InChIKeyPPWVASXCJMNTFC-UHFFFAOYSA-N
XLogP1.12
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-4-oxopyrazolo[4,5-c]pyridin-1-yl) thiohypofluorite?
The IUPAC name of (5-methyl-4-oxopyrazolo[4,5-c]pyridin-1-yl) thiohypofluorite (CID 164917402) is (5-methyl-4-oxopyrazolo[4,5-c]pyridin-1-yl) thiohypofluorite.
What is the SMILES notation for (5-methyl-4-oxopyrazolo[4,5-c]pyridin-1-yl) thiohypofluorite?
The canonical SMILES for (5-methyl-4-oxopyrazolo[4,5-c]pyridin-1-yl) thiohypofluorite is Cn1ccc2c(cnn2SF)c1=O.
What is the InChIKey of (5-methyl-4-oxopyrazolo[4,5-c]pyridin-1-yl) thiohypofluorite?
The InChIKey is PPWVASXCJMNTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3OS/c1-10-3-2-6-5(7(10)12)4-9-11(6)13-8/h2-4H,1H3.
What are the key properties of (5-methyl-4-oxopyrazolo[4,5-c]pyridin-1-yl) thiohypofluorite?
(5-methyl-4-oxopyrazolo[4,5-c]pyridin-1-yl) thiohypofluorite has a molecular weight of 199.21 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4-oxopyrazolo[4,5-c]pyridin-1-yl) thiohypofluorite is sourced from PubChem (CID 164917402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).