[6-[(3-bromo-2-pyridinyl)sulfanyl]-2-pyridinyl]methanamine

C11H10BrN3S — CID 64589786

IUPAC[6-[(3-bromo-2-pyridinyl)sulfanyl]-2-pyridinyl]methanamine
SMILESNCc1cccc(Sc2ncccc2Br)n1
InChIInChI=1S/C11H10BrN3S/c12-9-4-2-6-14-11(9)16-10-5-1-3-8(7-13)15-10/h1-6H,7,13H2
InChIKeyMXECOYCXQNUDHN-UHFFFAOYSA-N
MW296.19 g/mol
LogP2.85
Rot. Bonds3

About [6-[(3-bromo-2-pyridinyl)sulfanyl]-2-pyridinyl]methanamine

[6-[(3-bromo-2-pyridinyl)sulfanyl]-2-pyridinyl]methanamine (PubChem CID 64589786) has the molecular formula C11H10BrN3S and a molecular weight of 296.19 g/mol. Its IUPAC name is [6-[(3-bromo-2-pyridinyl)sulfanyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[(3-bromo-2-pyridinyl)sulfanyl]-2-pyridinyl]methanamine
PubChem CID64589786
Molecular FormulaC11H10BrN3S
Molecular Weight296.19 g/mol
Exact Mass294.98
IUPAC Name[6-[(3-bromo-2-pyridinyl)sulfanyl]-2-pyridinyl]methanamine
SMILESNCc1cccc(Sc2ncccc2Br)n1
InChIInChI=1S/C11H10BrN3S/c12-9-4-2-6-14-11(9)16-10-5-1-3-8(7-13)15-10/h1-6H,7,13H2
InChIKeyMXECOYCXQNUDHN-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[(3-bromo-2-pyridinyl)sulfanyl]-2-pyridinyl]methanamine?
The IUPAC name of [6-[(3-bromo-2-pyridinyl)sulfanyl]-2-pyridinyl]methanamine (CID 64589786) is [6-[(3-bromo-2-pyridinyl)sulfanyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [6-[(3-bromo-2-pyridinyl)sulfanyl]-2-pyridinyl]methanamine?
The canonical SMILES for [6-[(3-bromo-2-pyridinyl)sulfanyl]-2-pyridinyl]methanamine is NCc1cccc(Sc2ncccc2Br)n1.
What is the InChIKey of [6-[(3-bromo-2-pyridinyl)sulfanyl]-2-pyridinyl]methanamine?
The InChIKey is MXECOYCXQNUDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3S/c12-9-4-2-6-14-11(9)16-10-5-1-3-8(7-13)15-10/h1-6H,7,13H2.
What are the key properties of [6-[(3-bromo-2-pyridinyl)sulfanyl]-2-pyridinyl]methanamine?
[6-[(3-bromo-2-pyridinyl)sulfanyl]-2-pyridinyl]methanamine has a molecular weight of 296.19 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-bromo-2-pyridinyl)sulfanyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 64589786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).