2-[(5-bromo-3-pyridinyl)methylsulfanyl]pyridin-3-amine

C11H10BrN3S — CID 104797919

IUPAC2-[(5-bromo-3-pyridinyl)methylsulfanyl]pyridin-3-amine
SMILESNc1cccnc1SCc1cncc(Br)c1
InChIInChI=1S/C11H10BrN3S/c12-9-4-8(5-14-6-9)7-16-11-10(13)2-1-3-15-11/h1-6H,7,13H2
InChIKeyXXFJIXCVSHYTCG-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.11
Rot. Bonds3

About 2-[(5-bromo-3-pyridinyl)methylsulfanyl]pyridin-3-amine

2-[(5-bromo-3-pyridinyl)methylsulfanyl]pyridin-3-amine (PubChem CID 104797919) has the molecular formula C11H10BrN3S and a molecular weight of 296.19 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)methylsulfanyl]pyridin-3-amine
PubChem CID104797919
Molecular FormulaC11H10BrN3S
Molecular Weight296.19 g/mol
Exact Mass294.98
IUPAC Name2-[(5-bromo-3-pyridinyl)methylsulfanyl]pyridin-3-amine
SMILESNc1cccnc1SCc1cncc(Br)c1
InChIInChI=1S/C11H10BrN3S/c12-9-4-8(5-14-6-9)7-16-11-10(13)2-1-3-15-11/h1-6H,7,13H2
InChIKeyXXFJIXCVSHYTCG-UHFFFAOYSA-N
XLogP3.11
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)methylsulfanyl]pyridin-3-amine (CID 104797919) is 2-[(5-bromo-3-pyridinyl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)methylsulfanyl]pyridin-3-amine is Nc1cccnc1SCc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)methylsulfanyl]pyridin-3-amine?
The InChIKey is XXFJIXCVSHYTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3S/c12-9-4-8(5-14-6-9)7-16-11-10(13)2-1-3-15-11/h1-6H,7,13H2.
What are the key properties of 2-[(5-bromo-3-pyridinyl)methylsulfanyl]pyridin-3-amine?
2-[(5-bromo-3-pyridinyl)methylsulfanyl]pyridin-3-amine has a molecular weight of 296.19 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 104797919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).