6-bromo-5-(2-trimethylsilylethynyl)pyridin-3-amine

C10H13BrN2Si — CID 172555112

IUPAC6-bromo-5-(2-trimethylsilylethynyl)pyridin-3-amine
SMILESC[Si](C)(C)C#Cc1cc(N)cnc1Br
InChIInChI=1S/C10H13BrN2Si/c1-14(2,3)5-4-8-6-9(12)7-13-10(8)11/h6-7H,12H2,1-3H3
InChIKeyUTHNSVZTROVLHS-UHFFFAOYSA-N
MW269.22 g/mol
LogP2.66
Rot. Bonds

About 6-bromo-5-(2-trimethylsilylethynyl)pyridin-3-amine

6-bromo-5-(2-trimethylsilylethynyl)pyridin-3-amine (PubChem CID 172555112) has the molecular formula C10H13BrN2Si and a molecular weight of 269.22 g/mol. Its IUPAC name is 6-bromo-5-(2-trimethylsilylethynyl)pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-5-(2-trimethylsilylethynyl)pyridin-3-amine
PubChem CID172555112
Molecular FormulaC10H13BrN2Si
Molecular Weight269.22 g/mol
Exact Mass268.00
IUPAC Name6-bromo-5-(2-trimethylsilylethynyl)pyridin-3-amine
SMILESC[Si](C)(C)C#Cc1cc(N)cnc1Br
InChIInChI=1S/C10H13BrN2Si/c1-14(2,3)5-4-8-6-9(12)7-13-10(8)11/h6-7H,12H2,1-3H3
InChIKeyUTHNSVZTROVLHS-UHFFFAOYSA-N
XLogP2.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(2-trimethylsilylethynyl)pyridin-3-amine?
The IUPAC name of 6-bromo-5-(2-trimethylsilylethynyl)pyridin-3-amine (CID 172555112) is 6-bromo-5-(2-trimethylsilylethynyl)pyridin-3-amine.
What is the SMILES notation for 6-bromo-5-(2-trimethylsilylethynyl)pyridin-3-amine?
The canonical SMILES for 6-bromo-5-(2-trimethylsilylethynyl)pyridin-3-amine is C[Si](C)(C)C#Cc1cc(N)cnc1Br.
What is the InChIKey of 6-bromo-5-(2-trimethylsilylethynyl)pyridin-3-amine?
The InChIKey is UTHNSVZTROVLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2Si/c1-14(2,3)5-4-8-6-9(12)7-13-10(8)11/h6-7H,12H2,1-3H3.
What are the key properties of 6-bromo-5-(2-trimethylsilylethynyl)pyridin-3-amine?
6-bromo-5-(2-trimethylsilylethynyl)pyridin-3-amine has a molecular weight of 269.22 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(2-trimethylsilylethynyl)pyridin-3-amine is sourced from PubChem (CID 172555112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).