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

C11H10BrN3S — CID 119043653

IUPAC2-[1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine
SMILESCC(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
InChIKeyBNUBGNKGZPVUFF-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.49
Rot. Bonds3

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

2-[1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine (PubChem CID 119043653) has the molecular formula C11H10BrN3S and a molecular weight of 296.19 g/mol. Its IUPAC name is 2-[1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine.

Molecular Properties

Compound Name2-[1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine
PubChem CID119043653
Molecular FormulaC11H10BrN3S
Molecular Weight296.19 g/mol
Exact Mass294.98
IUPAC Name2-[1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine
SMILESCC(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
InChIKeyBNUBGNKGZPVUFF-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine?
The IUPAC name of 2-[1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine (CID 119043653) is 2-[1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine.
What is the SMILES notation for 2-[1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine?
The canonical SMILES for 2-[1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine is CC(Sc1ncccc1Br)c1cnccn1.
What is the InChIKey of 2-[1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine?
The InChIKey is BNUBGNKGZPVUFF-UHFFFAOYSA-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.
What are the key properties of 2-[1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine?
2-[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-[1-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]pyrazine is sourced from PubChem (CID 119043653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).