5-bromo-3-[(R)-ethylsulfinyl]pyridine-2-carbonitrile

C8H7BrN2OS — CID 172625480

IUPAC5-bromo-3-[(R)-ethylsulfinyl]pyridine-2-carbonitrile
SMILESCC[S@@](=O)c1cc(Br)cnc1C#N
InChIInChI=1S/C8H7BrN2OS/c1-2-13(12)8-3-6(9)5-11-7(8)4-10/h3,5H,2H2,1H3/t13-/m1/s1
InChIKeyZZKWTCIRYUBODO-CYBMUJFWSA-N
MW259.13 g/mol
LogP1.84
Rot. Bonds2

About 5-bromo-3-[(R)-ethylsulfinyl]pyridine-2-carbonitrile

5-bromo-3-[(R)-ethylsulfinyl]pyridine-2-carbonitrile (PubChem CID 172625480) has the molecular formula C8H7BrN2OS and a molecular weight of 259.13 g/mol. Its IUPAC name is 5-bromo-3-[(R)-ethylsulfinyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-bromo-3-[(R)-ethylsulfinyl]pyridine-2-carbonitrile
PubChem CID172625480
Molecular FormulaC8H7BrN2OS
Molecular Weight259.13 g/mol
Exact Mass257.95
IUPAC Name5-bromo-3-[(R)-ethylsulfinyl]pyridine-2-carbonitrile
SMILESCC[S@@](=O)c1cc(Br)cnc1C#N
InChIInChI=1S/C8H7BrN2OS/c1-2-13(12)8-3-6(9)5-11-7(8)4-10/h3,5H,2H2,1H3/t13-/m1/s1
InChIKeyZZKWTCIRYUBODO-CYBMUJFWSA-N
XLogP1.84
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(R)-ethylsulfinyl]pyridine-2-carbonitrile?
The IUPAC name of 5-bromo-3-[(R)-ethylsulfinyl]pyridine-2-carbonitrile (CID 172625480) is 5-bromo-3-[(R)-ethylsulfinyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-bromo-3-[(R)-ethylsulfinyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-bromo-3-[(R)-ethylsulfinyl]pyridine-2-carbonitrile is CC[S@@](=O)c1cc(Br)cnc1C#N.
What is the InChIKey of 5-bromo-3-[(R)-ethylsulfinyl]pyridine-2-carbonitrile?
The InChIKey is ZZKWTCIRYUBODO-CYBMUJFWSA-N. The full InChI is InChI=1S/C8H7BrN2OS/c1-2-13(12)8-3-6(9)5-11-7(8)4-10/h3,5H,2H2,1H3/t13-/m1/s1.
What are the key properties of 5-bromo-3-[(R)-ethylsulfinyl]pyridine-2-carbonitrile?
5-bromo-3-[(R)-ethylsulfinyl]pyridine-2-carbonitrile has a molecular weight of 259.13 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(R)-ethylsulfinyl]pyridine-2-carbonitrile is sourced from PubChem (CID 172625480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).