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

C9H11F2NOS — CID 112676075

IUPAC3-[(3,5-difluoro-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSc1ncc(F)cc1F
InChIInChI=1S/C9H11F2NOS/c1-6(4-13)5-14-9-8(11)2-7(10)3-12-9/h2-3,6,13H,4-5H2,1H3
InChIKeyKPASDWORTMDYAI-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.08
Rot. Bonds4

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

3-[(3,5-difluoro-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol (PubChem CID 112676075) 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]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(3,5-difluoro-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
PubChem CID112676075
Molecular FormulaC9H11F2NOS
Molecular Weight219.26 g/mol
Exact Mass219.05
IUPAC Name3-[(3,5-difluoro-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSc1ncc(F)cc1F
InChIInChI=1S/C9H11F2NOS/c1-6(4-13)5-14-9-8(11)2-7(10)3-12-9/h2-3,6,13H,4-5H2,1H3
InChIKeyKPASDWORTMDYAI-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,5-difluoro-2-pyridinyl)sulfanyl]butan-1-ol
CID 112676076
3-[(3-amino-5-methyl-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 66279373
3-(2,5-difluorophenyl)sulfanyl-2-methylpropan-1-ol
CID 115870910
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80891276
3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 103736624
2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol
CID 66103301
3-(3-hydroxy-2-methylpropyl)sulfanylpyrazine-2-carbonitrile
CID 66009684
3-(4-amino-2-fluorophenyl)sulfanyl-2-methylpropan-1-ol
CID 66103511
3-[4-(1-aminoethyl)-2-fluorophenyl]sulfanyl-2-methylpropan-1-ol
CID 66104063
3-(3-hydroxy-2-methylpropyl)sulfanylpyrazine-2-carboximidamide
CID 66105152
3,5-difluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine
CID 112675888
3-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]sulfanyl-2-methylpropan-1-ol
CID 79026833

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluoro-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[(3,5-difluoro-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol (CID 112676075) is 3-[(3,5-difluoro-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(3,5-difluoro-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(3,5-difluoro-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol is CC(CO)CSc1ncc(F)cc1F.
What is the InChIKey of 3-[(3,5-difluoro-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
The InChIKey is KPASDWORTMDYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NOS/c1-6(4-13)5-14-9-8(11)2-7(10)3-12-9/h2-3,6,13H,4-5H2,1H3.
What are the key properties of 3-[(3,5-difluoro-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
3-[(3,5-difluoro-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol has a molecular weight of 219.26 g/mol, XLogP of 2.08, 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]-2-methylpropan-1-ol is sourced from PubChem (CID 112676075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).