3-[(3,5-difluoro-2-pyridinyl)sulfanyl]butan-1-ol

C9H11F2NOS — CID 112676076

IUPAC3-[(3,5-difluoro-2-pyridinyl)sulfanyl]butan-1-ol
SMILESCC(CCO)Sc1ncc(F)cc1F
InChIInChI=1S/C9H11F2NOS/c1-6(2-3-13)14-9-8(11)4-7(10)5-12-9/h4-6,13H,2-3H2,1H3
InChIKeyJRCCFIJKUJRFDQ-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.22
Rot. Bonds4

About 3-[(3,5-difluoro-2-pyridinyl)sulfanyl]butan-1-ol

3-[(3,5-difluoro-2-pyridinyl)sulfanyl]butan-1-ol (PubChem CID 112676076) has the molecular formula C9H11F2NOS and a molecular weight of 219.26 g/mol. Its IUPAC name is 3-[(3,5-difluoro-2-pyridinyl)sulfanyl]butan-1-ol.

Molecular Properties

Compound Name3-[(3,5-difluoro-2-pyridinyl)sulfanyl]butan-1-ol
PubChem CID112676076
Molecular FormulaC9H11F2NOS
Molecular Weight219.26 g/mol
Exact Mass219.05
IUPAC Name3-[(3,5-difluoro-2-pyridinyl)sulfanyl]butan-1-ol
SMILESCC(CCO)Sc1ncc(F)cc1F
InChIInChI=1S/C9H11F2NOS/c1-6(2-3-13)14-9-8(11)4-7(10)5-12-9/h4-6,13H,2-3H2,1H3
InChIKeyJRCCFIJKUJRFDQ-UHFFFAOYSA-N
XLogP2.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,5-difluoro-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 112676075
3-pyrazin-2-ylsulfanylbutan-1-ol
CID 66138101
3-(5-bromopyrimidin-2-yl)sulfanylbutan-1-ol
CID 66136090
3-(4-hydroxybutan-2-ylsulfanyl)-1-methylpyrazin-2-one
CID 66135865
3-(5-bromo-2-chloropyrimidin-4-yl)sulfanylbutan-1-ol
CID 79073731
3-[(3-methyl-2-pyridinyl)sulfanyl]butan-1-ol
CID 66136520
3,5-difluoro-4-(4-hydroxybutan-2-ylsulfanyl)benzonitrile
CID 81294069
3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]butan-1-ol
CID 114869444
3-[2-fluoro-4-(trifluoromethyl)phenyl]sulfanylbutan-1-ol
CID 107303712
2-(4-hydroxybutan-2-ylsulfanyl)pyridine-3-carboxylic acid
CID 66104811
3-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)sulfanyl]butan-1-ol
CID 104508159
2-fluoro-6-(4-hydroxybutan-2-ylsulfanyl)benzoic acid
CID 79511360

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluoro-2-pyridinyl)sulfanyl]butan-1-ol?
The IUPAC name of 3-[(3,5-difluoro-2-pyridinyl)sulfanyl]butan-1-ol (CID 112676076) is 3-[(3,5-difluoro-2-pyridinyl)sulfanyl]butan-1-ol.
What is the SMILES notation for 3-[(3,5-difluoro-2-pyridinyl)sulfanyl]butan-1-ol?
The canonical SMILES for 3-[(3,5-difluoro-2-pyridinyl)sulfanyl]butan-1-ol is CC(CCO)Sc1ncc(F)cc1F.
What is the InChIKey of 3-[(3,5-difluoro-2-pyridinyl)sulfanyl]butan-1-ol?
The InChIKey is JRCCFIJKUJRFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NOS/c1-6(2-3-13)14-9-8(11)4-7(10)5-12-9/h4-6,13H,2-3H2,1H3.
What are the key properties of 3-[(3,5-difluoro-2-pyridinyl)sulfanyl]butan-1-ol?
3-[(3,5-difluoro-2-pyridinyl)sulfanyl]butan-1-ol has a molecular weight of 219.26 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluoro-2-pyridinyl)sulfanyl]butan-1-ol is sourced from PubChem (CID 112676076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).