(2-chloro-5-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl) thiohypofluorite

C7H5ClFN3OS — CID 146323888

IUPAC(2-chloro-5-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl) thiohypofluorite
SMILESCc1cn(SF)c2nc(Cl)[nH]c(=O)c12
InChIInChI=1S/C7H5ClFN3OS/c1-3-2-12(14-9)5-4(3)6(13)11-7(8)10-5/h2H,1H3,(H,10,11,13)
InChIKeyWOQNVHRTLMCWLZ-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.07
Rot. Bonds1

About (2-chloro-5-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl) thiohypofluorite

(2-chloro-5-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl) thiohypofluorite (PubChem CID 146323888) has the molecular formula C7H5ClFN3OS and a molecular weight of 233.66 g/mol. Its IUPAC name is (2-chloro-5-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl) thiohypofluorite.

Molecular Properties

Compound Name(2-chloro-5-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl) thiohypofluorite
PubChem CID146323888
Molecular FormulaC7H5ClFN3OS
Molecular Weight233.66 g/mol
Exact Mass232.98
IUPAC Name(2-chloro-5-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl) thiohypofluorite
SMILESCc1cn(SF)c2nc(Cl)[nH]c(=O)c12
InChIInChI=1S/C7H5ClFN3OS/c1-3-2-12(14-9)5-4(3)6(13)11-7(8)10-5/h2H,1H3,(H,10,11,13)
InChIKeyWOQNVHRTLMCWLZ-UHFFFAOYSA-N
XLogP2.07
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl) thiohypofluorite?
The IUPAC name of (2-chloro-5-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl) thiohypofluorite (CID 146323888) is (2-chloro-5-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl) thiohypofluorite.
What is the SMILES notation for (2-chloro-5-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl) thiohypofluorite?
The canonical SMILES for (2-chloro-5-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl) thiohypofluorite is Cc1cn(SF)c2nc(Cl)[nH]c(=O)c12.
What is the InChIKey of (2-chloro-5-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl) thiohypofluorite?
The InChIKey is WOQNVHRTLMCWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFN3OS/c1-3-2-12(14-9)5-4(3)6(13)11-7(8)10-5/h2H,1H3,(H,10,11,13).
What are the key properties of (2-chloro-5-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl) thiohypofluorite?
(2-chloro-5-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl) thiohypofluorite has a molecular weight of 233.66 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl) thiohypofluorite is sourced from PubChem (CID 146323888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).