(5-fluoro-6-methyl-2-pyridinyl) thiohypochlorite

C6H5ClFNS — CID 146430429

IUPAC(5-fluoro-6-methyl-2-pyridinyl) thiohypochlorite
SMILESCc1nc(SCl)ccc1F
InChIInChI=1S/C6H5ClFNS/c1-4-5(8)2-3-6(9-4)10-7/h2-3H,1H3
InChIKeyQSBPVVJAZRSJBW-UHFFFAOYSA-N
MW177.63 g/mol
LogP2.78
Rot. Bonds1

About (5-fluoro-6-methyl-2-pyridinyl) thiohypochlorite

(5-fluoro-6-methyl-2-pyridinyl) thiohypochlorite (PubChem CID 146430429) has the molecular formula C6H5ClFNS and a molecular weight of 177.63 g/mol. Its IUPAC name is (5-fluoro-6-methyl-2-pyridinyl) thiohypochlorite.

Molecular Properties

Compound Name(5-fluoro-6-methyl-2-pyridinyl) thiohypochlorite
PubChem CID146430429
Molecular FormulaC6H5ClFNS
Molecular Weight177.63 g/mol
Exact Mass176.98
IUPAC Name(5-fluoro-6-methyl-2-pyridinyl) thiohypochlorite
SMILESCc1nc(SCl)ccc1F
InChIInChI=1S/C6H5ClFNS/c1-4-5(8)2-3-6(9-4)10-7/h2-3H,1H3
InChIKeyQSBPVVJAZRSJBW-UHFFFAOYSA-N
XLogP2.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-6-methyl-2-pyridinyl) thiohypochlorite?
The IUPAC name of (5-fluoro-6-methyl-2-pyridinyl) thiohypochlorite (CID 146430429) is (5-fluoro-6-methyl-2-pyridinyl) thiohypochlorite.
What is the SMILES notation for (5-fluoro-6-methyl-2-pyridinyl) thiohypochlorite?
The canonical SMILES for (5-fluoro-6-methyl-2-pyridinyl) thiohypochlorite is Cc1nc(SCl)ccc1F.
What is the InChIKey of (5-fluoro-6-methyl-2-pyridinyl) thiohypochlorite?
The InChIKey is QSBPVVJAZRSJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNS/c1-4-5(8)2-3-6(9-4)10-7/h2-3H,1H3.
What are the key properties of (5-fluoro-6-methyl-2-pyridinyl) thiohypochlorite?
(5-fluoro-6-methyl-2-pyridinyl) thiohypochlorite has a molecular weight of 177.63 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-6-methyl-2-pyridinyl) thiohypochlorite is sourced from PubChem (CID 146430429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).