(1R)-1-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanol

C13H12BrNOS — CID 114057147

IUPAC(1R)-1-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanol
SMILESC[C@@H](O)c1cccnc1Sc1ccccc1Br
InChIInChI=1S/C13H12BrNOS/c1-9(16)10-5-4-8-15-13(10)17-12-7-3-2-6-11(12)14/h2-9,16H,1H3/t9-/m1/s1
InChIKeyLMMZLYDOURKCRQ-SECBINFHSA-N
MW310.22 g/mol
LogP4.05
Rot. Bonds3

About (1R)-1-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanol

(1R)-1-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanol (PubChem CID 114057147) has the molecular formula C13H12BrNOS and a molecular weight of 310.22 g/mol. Its IUPAC name is (1R)-1-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanol
PubChem CID114057147
Molecular FormulaC13H12BrNOS
Molecular Weight310.22 g/mol
Exact Mass308.98
IUPAC Name(1R)-1-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanol
SMILESC[C@@H](O)c1cccnc1Sc1ccccc1Br
InChIInChI=1S/C13H12BrNOS/c1-9(16)10-5-4-8-15-13(10)17-12-7-3-2-6-11(12)14/h2-9,16H,1H3/t9-/m1/s1
InChIKeyLMMZLYDOURKCRQ-SECBINFHSA-N
XLogP4.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(2-methylphenyl)sulfanyl-3-pyridinyl]ethanol
CID 114057152
(1R)-1-(2-pyrimidin-2-ylsulfanylphenyl)ethanol
CID 78952097
2-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanamine
CID 114057620
1-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanol
CID 114057131
(1S)-1-(2-bromophenyl)ethanol
CID 139073913
(1S)-1-(2-bromophenyl)ethanol
CID 6950331
2-[[3-(1-hydroxyethyl)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 114057142
(1R)-1-(2-pyridin-2-ylsulfanylphenyl)ethanol
CID 78951870
(1R)-1-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]ethanol
CID 114057189
(1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine
CID 78938611
3-bromo-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylpyridine
CID 100617547
(1S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]ethanol
CID 114057132

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanol (CID 114057147) is (1R)-1-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanol is C[C@@H](O)c1cccnc1Sc1ccccc1Br.
What is the InChIKey of (1R)-1-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanol?
The InChIKey is LMMZLYDOURKCRQ-SECBINFHSA-N. The full InChI is InChI=1S/C13H12BrNOS/c1-9(16)10-5-4-8-15-13(10)17-12-7-3-2-6-11(12)14/h2-9,16H,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanol?
(1R)-1-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanol has a molecular weight of 310.22 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanol is sourced from PubChem (CID 114057147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).