3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]butan-1-ol

C10H14BrNOS — CID 114869444

IUPAC3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]butan-1-ol
SMILESCc1cc(SC(C)CCO)ncc1Br
InChIInChI=1S/C10H14BrNOS/c1-7-5-10(12-6-9(7)11)14-8(2)3-4-13/h5-6,8,13H,3-4H2,1-2H3
InChIKeyCLPAORBQUWGPAF-UHFFFAOYSA-N
MW276.20 g/mol
LogP3.02
Rot. Bonds4

About 3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]butan-1-ol

3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]butan-1-ol (PubChem CID 114869444) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]butan-1-ol.

Molecular Properties

Compound Name3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]butan-1-ol
PubChem CID114869444
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]butan-1-ol
SMILESCc1cc(SC(C)CCO)ncc1Br
InChIInChI=1S/C10H14BrNOS/c1-7-5-10(12-6-9(7)11)14-8(2)3-4-13/h5-6,8,13H,3-4H2,1-2H3
InChIKeyCLPAORBQUWGPAF-UHFFFAOYSA-N
XLogP3.02
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(4-chlorobutan-2-ylsulfanyl)-4-methylpyridine
CID 114869452
3-[(4-methyl-5-nitro-2-pyridinyl)sulfanyl]butan-1-ol
CID 79175859
3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]butan-2-ol
CID 107771123
3-(5-bromopyrimidin-2-yl)sulfanylbutan-1-ol
CID 66136090
3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
CID 115774135
3-(5-bromo-2-chloropyrimidin-4-yl)sulfanylbutan-1-ol
CID 79073731
3-pyrazin-2-ylsulfanylbutan-1-ol
CID 66138101
3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid
CID 114869053
3-[6-(methylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
CID 80891111
5-(4-hydroxybutan-2-ylsulfanyl)pyrazine-2-carbonitrile
CID 66137864
4-(4-hydroxybutan-2-ylsulfanyl)-1H-pyrimidin-6-one
CID 114578927
3-(6-propylpyrimidin-4-yl)sulfanylbutan-1-ol
CID 66137882

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]butan-1-ol?
The IUPAC name of 3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]butan-1-ol (CID 114869444) is 3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]butan-1-ol.
What is the SMILES notation for 3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]butan-1-ol?
The canonical SMILES for 3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]butan-1-ol is Cc1cc(SC(C)CCO)ncc1Br.
What is the InChIKey of 3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]butan-1-ol?
The InChIKey is CLPAORBQUWGPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-7-5-10(12-6-9(7)11)14-8(2)3-4-13/h5-6,8,13H,3-4H2,1-2H3.
What are the key properties of 3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]butan-1-ol?
3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]butan-1-ol has a molecular weight of 276.20 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]butan-1-ol is sourced from PubChem (CID 114869444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).