2-[(1S)-1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine

C11H10BrN3S — CID 124618566

IUPAC2-[(1S)-1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine
SMILESC[C@H](Sc1ncccc1Br)c1cnccn1
InChIInChI=1S/C11H10BrN3S/c1-8(10-7-13-5-6-14-10)16-11-9(12)3-2-4-15-11/h2-8H,1H3/t8-/m0/s1
InChIKeyBNUBGNKGZPVUFF-QMMMGPOBSA-N
MW296.19 g/mol
LogP3.49
Rot. Bonds3

About 2-[(1S)-1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine

2-[(1S)-1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine (PubChem CID 124618566) has the molecular formula C11H10BrN3S and a molecular weight of 296.19 g/mol. Its IUPAC name is 2-[(1S)-1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine.

Molecular Properties

Compound Name2-[(1S)-1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine
PubChem CID124618566
Molecular FormulaC11H10BrN3S
Molecular Weight296.19 g/mol
Exact Mass294.98
IUPAC Name2-[(1S)-1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine
SMILESC[C@H](Sc1ncccc1Br)c1cnccn1
InChIInChI=1S/C11H10BrN3S/c1-8(10-7-13-5-6-14-10)16-11-9(12)3-2-4-15-11/h2-8H,1H3/t8-/m0/s1
InChIKeyBNUBGNKGZPVUFF-QMMMGPOBSA-N
XLogP3.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(1S)-1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-Bromophenyl)sulfanyl]quinoxaline
CID 3749824
5-Bromo-2-(methylthio)pyridine
CID 11424251
5-Bromo-2-(phenylsulfanyl)pyridine
CID 22180667
2-(Pyridin-2-ylmethylsulfanyl)pyridine;hydrochloride
CID 49860980
5-Bromo-2-(tert-butylsulfanyl)pyridine
CID 61375299
5-Bromo-2-(ethylsulfanyl)pyridine
CID 19827293
4-Bromo-1-(2-(2-pyridyl)ethylthio)benzene
CID 872436
2-[(4-Bromophenyl)sulfanylmethyl]pyridine;hydrochloride
CID 13058685
2-[(2-Bromophenyl)sulfanylmethyl]pyridine;hydrochloride
CID 13058698
2-[2-(4-Bromophenyl)sulfanylethyl]pyridine;hydrochloride
CID 13058727
2-[(4-Bromophenyl)sulfanylmethyl]-1-methylpyridin-1-ium iodide
CID 13058728
2-[1-(4-Bromophenyl)sulfanylethyl]pyridine;hydrochloride
CID 13058737

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine?
The IUPAC name of 2-[(1S)-1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine (CID 124618566) is 2-[(1S)-1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine.
What is the SMILES notation for 2-[(1S)-1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine?
The canonical SMILES for 2-[(1S)-1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine is C[C@H](Sc1ncccc1Br)c1cnccn1.
What is the InChIKey of 2-[(1S)-1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine?
The InChIKey is BNUBGNKGZPVUFF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H10BrN3S/c1-8(10-7-13-5-6-14-10)16-11-9(12)3-2-4-15-11/h2-8H,1H3/t8-/m0/s1.
What are the key properties of 2-[(1S)-1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine?
2-[(1S)-1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine has a molecular weight of 296.19 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine is sourced from PubChem (CID 124618566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).