[3-[(3-bromo-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol

C10H12BrNO2S — CID 111975983

IUPAC[3-[(3-bromo-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol
SMILESOCC1(CSc2ncccc2Br)COC1
InChIInChI=1S/C10H12BrNO2S/c11-8-2-1-3-12-9(8)15-7-10(4-13)5-14-6-10/h1-3,13H,4-7H2
InChIKeyYVXRFZGBJWLSDV-UHFFFAOYSA-N
MW290.18 g/mol
LogP1.95
Rot. Bonds4

About [3-[(3-bromo-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol

[3-[(3-bromo-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol (PubChem CID 111975983) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is [3-[(3-bromo-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(3-bromo-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol
PubChem CID111975983
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name[3-[(3-bromo-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol
SMILESOCC1(CSc2ncccc2Br)COC1
InChIInChI=1S/C10H12BrNO2S/c11-8-2-1-3-12-9(8)15-7-10(4-13)5-14-6-10/h1-3,13H,4-7H2
InChIKeyYVXRFZGBJWLSDV-UHFFFAOYSA-N
XLogP1.95
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-bromo-2-pyridinyl)sulfanyl]propanoic acid
CID 61373345
[3-(thiophen-2-ylsulfanylmethyl)oxetan-3-yl]methanol
CID 111975961
3-bromo-2-(methylsulfanylmethylsulfanyl)pyridine
CID 130835217
2-amino-3-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 64819740
2-amino-4-[(3-bromo-2-pyridinyl)sulfanyl]butan-1-ol
CID 64821539
3-bromo-2-prop-2-enylsulfanylpyridine
CID 97182206
2-[(3-bromo-2-pyridinyl)sulfanylmethyl]prop-2-ene-1-thiol
CID 103074209
4-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyrimidine-5-carboxylic acid
CID 102973824
3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine
CID 103678592
3-bromo-2-[[3-(bromomethyl)oxolan-3-yl]methyl]pyridine
CID 130576386
3-bromo-4-[(3-bromo-2-pyridinyl)sulfanylmethyl]benzoic acid
CID 102765830
3-bromo-2-[2-(bromomethyl)-3,3-dimethylbutyl]sulfanylpyridine
CID 65016129

Frequently Asked Questions

What is the IUPAC name of [3-[(3-bromo-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(3-bromo-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol (CID 111975983) is [3-[(3-bromo-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(3-bromo-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(3-bromo-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol is OCC1(CSc2ncccc2Br)COC1.
What is the InChIKey of [3-[(3-bromo-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol?
The InChIKey is YVXRFZGBJWLSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c11-8-2-1-3-12-9(8)15-7-10(4-13)5-14-6-10/h1-3,13H,4-7H2.
What are the key properties of [3-[(3-bromo-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol?
[3-[(3-bromo-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol has a molecular weight of 290.18 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-bromo-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol is sourced from PubChem (CID 111975983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).