6-(oxetan-3-ylsulfanyl)pyridine-3-carbonitrile

C9H8N2OS — CID 79325722

IUPAC6-(oxetan-3-ylsulfanyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(SC2COC2)nc1
InChIInChI=1S/C9H8N2OS/c10-3-7-1-2-9(11-4-7)13-8-5-12-6-8/h1-2,4,8H,5-6H2
InChIKeyNAJDAWZVLBDTDI-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.44
Rot. Bonds2

About 6-(oxetan-3-ylsulfanyl)pyridine-3-carbonitrile

6-(oxetan-3-ylsulfanyl)pyridine-3-carbonitrile (PubChem CID 79325722) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 6-(oxetan-3-ylsulfanyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(oxetan-3-ylsulfanyl)pyridine-3-carbonitrile
PubChem CID79325722
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name6-(oxetan-3-ylsulfanyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(SC2COC2)nc1
InChIInChI=1S/C9H8N2OS/c10-3-7-1-2-9(11-4-7)13-8-5-12-6-8/h1-2,4,8H,5-6H2
InChIKeyNAJDAWZVLBDTDI-UHFFFAOYSA-N
XLogP1.44
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(oxan-4-ylsulfanyl)pyridine-3-carbonitrile
CID 62996428
(5-cyano-2-pyridinyl) thiohypochlorite
CID 143667938
2-methyl-N-[[6-(oxetan-3-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine
CID 80650759
6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 146075497
6-(2-bromophenyl)sulfanylpyridine-3-carbonitrile
CID 43236174
5-[(5-cyano-2-pyridinyl)sulfanyl]furan-2-carboxylic acid
CID 63942215
(5-cyano-2-pyridinyl) carbamimidothioate;hydrochloride
CID 131868951
6-[[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile
CID 126938812
6-imidazolidin-2-ylpyridine-3-carbonitrile
CID 70037245
6-(3-hydroxyphenyl)sulfanylpyridine-3-carbonitrile
CID 104576652
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 47150238
2-(cyclopropylmethoxy)-6-(oxetan-3-ylsulfanyl)pyridin-3-amine
CID 79326045

Frequently Asked Questions

What is the IUPAC name of 6-(oxetan-3-ylsulfanyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(oxetan-3-ylsulfanyl)pyridine-3-carbonitrile (CID 79325722) is 6-(oxetan-3-ylsulfanyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(oxetan-3-ylsulfanyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(oxetan-3-ylsulfanyl)pyridine-3-carbonitrile is N#Cc1ccc(SC2COC2)nc1.
What is the InChIKey of 6-(oxetan-3-ylsulfanyl)pyridine-3-carbonitrile?
The InChIKey is NAJDAWZVLBDTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c10-3-7-1-2-9(11-4-7)13-8-5-12-6-8/h1-2,4,8H,5-6H2.
What are the key properties of 6-(oxetan-3-ylsulfanyl)pyridine-3-carbonitrile?
6-(oxetan-3-ylsulfanyl)pyridine-3-carbonitrile has a molecular weight of 192.24 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxetan-3-ylsulfanyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79325722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).