2,2-difluoro-[1,3]oxathiolo[4,5-b]pyridine

C6H3F2NOS — CID 162410988

IUPAC2,2-difluoro-[1,3]oxathiolo[4,5-b]pyridine
SMILESFC1(F)Oc2cccnc2S1
InChIInChI=1S/C6H3F2NOS/c7-6(8)10-4-2-1-3-9-5(4)11-6/h1-3H
InChIKeyMQOFVLFEIMDOJL-UHFFFAOYSA-N
MW175.16 g/mol
LogP2.12
Rot. Bonds

About 2,2-difluoro-[1,3]oxathiolo[4,5-b]pyridine

2,2-difluoro-[1,3]oxathiolo[4,5-b]pyridine (PubChem CID 162410988) has the molecular formula C6H3F2NOS and a molecular weight of 175.16 g/mol. Its IUPAC name is 2,2-difluoro-[1,3]oxathiolo[4,5-b]pyridine.

Molecular Properties

Compound Name2,2-difluoro-[1,3]oxathiolo[4,5-b]pyridine
PubChem CID162410988
Molecular FormulaC6H3F2NOS
Molecular Weight175.16 g/mol
Exact Mass174.99
IUPAC Name2,2-difluoro-[1,3]oxathiolo[4,5-b]pyridine
SMILESFC1(F)Oc2cccnc2S1
InChIInChI=1S/C6H3F2NOS/c7-6(8)10-4-2-1-3-9-5(4)11-6/h1-3H
InChIKeyMQOFVLFEIMDOJL-UHFFFAOYSA-N
XLogP2.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-[1,3]oxathiolo[4,5-b]pyridine?
The IUPAC name of 2,2-difluoro-[1,3]oxathiolo[4,5-b]pyridine (CID 162410988) is 2,2-difluoro-[1,3]oxathiolo[4,5-b]pyridine.
What is the SMILES notation for 2,2-difluoro-[1,3]oxathiolo[4,5-b]pyridine?
The canonical SMILES for 2,2-difluoro-[1,3]oxathiolo[4,5-b]pyridine is FC1(F)Oc2cccnc2S1.
What is the InChIKey of 2,2-difluoro-[1,3]oxathiolo[4,5-b]pyridine?
The InChIKey is MQOFVLFEIMDOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F2NOS/c7-6(8)10-4-2-1-3-9-5(4)11-6/h1-3H.
What are the key properties of 2,2-difluoro-[1,3]oxathiolo[4,5-b]pyridine?
2,2-difluoro-[1,3]oxathiolo[4,5-b]pyridine has a molecular weight of 175.16 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-[1,3]oxathiolo[4,5-b]pyridine is sourced from PubChem (CID 162410988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).