6-bromo-5-methyl-N-(thiolan-3-yl)pyridin-3-amine

C10H13BrN2S — CID 104530611

IUPAC6-bromo-5-methyl-N-(thiolan-3-yl)pyridin-3-amine
SMILESCc1cc(NC2CCSC2)cnc1Br
InChIInChI=1S/C10H13BrN2S/c1-7-4-9(5-12-10(7)11)13-8-2-3-14-6-8/h4-5,8,13H,2-3,6H2,1H3
InChIKeyIHDMQWHMEXCEPP-UHFFFAOYSA-N
MW273.20 g/mol
LogP3.07
Rot. Bonds2

About 6-bromo-5-methyl-N-(thiolan-3-yl)pyridin-3-amine

6-bromo-5-methyl-N-(thiolan-3-yl)pyridin-3-amine (PubChem CID 104530611) has the molecular formula C10H13BrN2S and a molecular weight of 273.20 g/mol. Its IUPAC name is 6-bromo-5-methyl-N-(thiolan-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-5-methyl-N-(thiolan-3-yl)pyridin-3-amine
PubChem CID104530611
Molecular FormulaC10H13BrN2S
Molecular Weight273.20 g/mol
Exact Mass272.00
IUPAC Name6-bromo-5-methyl-N-(thiolan-3-yl)pyridin-3-amine
SMILESCc1cc(NC2CCSC2)cnc1Br
InChIInChI=1S/C10H13BrN2S/c1-7-4-9(5-12-10(7)11)13-8-2-3-14-6-8/h4-5,8,13H,2-3,6H2,1H3
InChIKeyIHDMQWHMEXCEPP-UHFFFAOYSA-N
XLogP3.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methyl-N-(thiolan-3-yl)pyridin-3-amine?
The IUPAC name of 6-bromo-5-methyl-N-(thiolan-3-yl)pyridin-3-amine (CID 104530611) is 6-bromo-5-methyl-N-(thiolan-3-yl)pyridin-3-amine.
What is the SMILES notation for 6-bromo-5-methyl-N-(thiolan-3-yl)pyridin-3-amine?
The canonical SMILES for 6-bromo-5-methyl-N-(thiolan-3-yl)pyridin-3-amine is Cc1cc(NC2CCSC2)cnc1Br.
What is the InChIKey of 6-bromo-5-methyl-N-(thiolan-3-yl)pyridin-3-amine?
The InChIKey is IHDMQWHMEXCEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2S/c1-7-4-9(5-12-10(7)11)13-8-2-3-14-6-8/h4-5,8,13H,2-3,6H2,1H3.
What are the key properties of 6-bromo-5-methyl-N-(thiolan-3-yl)pyridin-3-amine?
6-bromo-5-methyl-N-(thiolan-3-yl)pyridin-3-amine has a molecular weight of 273.20 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methyl-N-(thiolan-3-yl)pyridin-3-amine is sourced from PubChem (CID 104530611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).