6-octylsulfanylpyridin-3-ol

C13H21NOS — CID 25140722

IUPAC6-octylsulfanylpyridin-3-ol
SMILESCCCCCCCCSc1ccc(O)cn1
InChIInChI=1S/C13H21NOS/c1-2-3-4-5-6-7-10-16-13-9-8-12(15)11-14-13/h8-9,11,15H,2-7,10H2,1H3
InChIKeyVHNZBFNFJZHWTR-UHFFFAOYSA-N
MW239.38 g/mol
LogP4.24
Rot. Bonds8

About 6-octylsulfanylpyridin-3-ol

6-octylsulfanylpyridin-3-ol (PubChem CID 25140722) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 6-octylsulfanylpyridin-3-ol.

Molecular Properties

Compound Name6-octylsulfanylpyridin-3-ol
PubChem CID25140722
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name6-octylsulfanylpyridin-3-ol
SMILESCCCCCCCCSc1ccc(O)cn1
InChIInChI=1S/C13H21NOS/c1-2-3-4-5-6-7-10-16-13-9-8-12(15)11-14-13/h8-9,11,15H,2-7,10H2,1H3
InChIKeyVHNZBFNFJZHWTR-UHFFFAOYSA-N
XLogP4.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-octylsulfanylpyridin-3-amine
CID 43301414
(6-pentylsulfanyl-3-pyridinyl)methanol
CID 107762041
(1R)-1-(6-pentylsulfanyl-3-pyridinyl)ethanol
CID 107761980
1-(6-pentylsulfanyl-3-pyridinyl)ethanone
CID 107750422
N-[2-(4-hydroxyphenyl)ethyl]-6-octylsulfanylpyridine-3-carboxamide
CID 139995770
(1S)-1-(6-pentylsulfanyl-3-pyridinyl)ethanamine
CID 107750614
2-butylsulfanyl-5-methylpyridine
CID 135224790
2-(6-butylsulfanyl-3-pyridinyl)ethanamine
CID 80650800
6-butylsulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 43615811
2-hexylsulfanyl-5-(4-hexylsulfanyl-2,5-dihydroxyphenyl)benzene-1,4-diol
CID 53240749
4-(4-pentylsulfanylphenyl)phenol
CID 70386917
4-hexylsulfanyl-2H-triazole
CID 54481011

Frequently Asked Questions

What is the IUPAC name of 6-octylsulfanylpyridin-3-ol?
The IUPAC name of 6-octylsulfanylpyridin-3-ol (CID 25140722) is 6-octylsulfanylpyridin-3-ol.
What is the SMILES notation for 6-octylsulfanylpyridin-3-ol?
The canonical SMILES for 6-octylsulfanylpyridin-3-ol is CCCCCCCCSc1ccc(O)cn1.
What is the InChIKey of 6-octylsulfanylpyridin-3-ol?
The InChIKey is VHNZBFNFJZHWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-2-3-4-5-6-7-10-16-13-9-8-12(15)11-14-13/h8-9,11,15H,2-7,10H2,1H3.
What are the key properties of 6-octylsulfanylpyridin-3-ol?
6-octylsulfanylpyridin-3-ol has a molecular weight of 239.38 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-octylsulfanylpyridin-3-ol is sourced from PubChem (CID 25140722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).