1-[(5-bromo-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol

C10H14BrNOS — CID 114496317

IUPAC1-[(5-bromo-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol
SMILESCCC(C)(O)CSc1ccc(Br)cn1
InChIInChI=1S/C10H14BrNOS/c1-3-10(2,13)7-14-9-5-4-8(11)6-12-9/h4-6,13H,3,7H2,1-2H3
InChIKeyRVFUVJKGLGVGJP-UHFFFAOYSA-N
MW276.20 g/mol
LogP3.10
Rot. Bonds4

About 1-[(5-bromo-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol

1-[(5-bromo-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol (PubChem CID 114496317) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol
PubChem CID114496317
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name1-[(5-bromo-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol
SMILESCCC(C)(O)CSc1ccc(Br)cn1
InChIInChI=1S/C10H14BrNOS/c1-3-10(2,13)7-14-9-5-4-8(11)6-12-9/h4-6,13H,3,7H2,1-2H3
InChIKeyRVFUVJKGLGVGJP-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-pyrimidin-4-ylsulfanylbutan-2-ol
CID 114496311
tert-butyl 3-[(5-bromo-2-pyridinyl)sulfanyl]propanoate
CID 115590566
2-[(5-bromo-2-pyridinyl)sulfanyl]ethanol
CID 43446269
2-amino-3-[(5-bromo-2-pyridinyl)sulfanyl]-2-phenylpropan-1-ol
CID 64819301
4-[(5-bromo-2-pyridinyl)sulfanyl]butan-2-one
CID 61339572
4-[(5-bromo-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)butan-1-ol
CID 64819078
6-[(5-bromo-2-pyridinyl)sulfanyl]hexan-3-one
CID 104623596
5-[(5-bromo-2-pyridinyl)sulfanyl]-2,2-dimethylpentan-1-amine
CID 65255657
1-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropan-2-ol
CID 60884000
1-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol
CID 114496169
tert-butyl N-[2-[(5-bromo-2-pyridinyl)sulfanyl]ethyl]carbamate
CID 146021302
5-[(5-bromo-2-pyridinyl)sulfanyl]pentan-2-one
CID 61339408

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol (CID 114496317) is 1-[(5-bromo-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol is CCC(C)(O)CSc1ccc(Br)cn1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol?
The InChIKey is RVFUVJKGLGVGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-3-10(2,13)7-14-9-5-4-8(11)6-12-9/h4-6,13H,3,7H2,1-2H3.
What are the key properties of 1-[(5-bromo-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol?
1-[(5-bromo-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol has a molecular weight of 276.20 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol is sourced from PubChem (CID 114496317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).