5-isocyano-6-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine

C12H15N3Si — CID 123932620

IUPAC5-isocyano-6-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine
SMILES[C-]#[N+]c1cc(C#C[Si](C)(C)C)c(N)nc1C
InChIInChI=1S/C12H15N3Si/c1-9-11(14-2)8-10(12(13)15-9)6-7-16(3,4)5/h8H,1,3-5H3,(H2,13,15)
InChIKeyQRXGNFDHRAWRRT-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.75
Rot. Bonds

About 5-isocyano-6-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine

5-isocyano-6-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine (PubChem CID 123932620) has the molecular formula C12H15N3Si and a molecular weight of 229.36 g/mol. Its IUPAC name is 5-isocyano-6-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine.

Molecular Properties

Compound Name5-isocyano-6-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine
PubChem CID123932620
Molecular FormulaC12H15N3Si
Molecular Weight229.36 g/mol
Exact Mass229.10
IUPAC Name5-isocyano-6-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine
SMILES[C-]#[N+]c1cc(C#C[Si](C)(C)C)c(N)nc1C
InChIInChI=1S/C12H15N3Si/c1-9-11(14-2)8-10(12(13)15-9)6-7-16(3,4)5/h8H,1,3-5H3,(H2,13,15)
InChIKeyQRXGNFDHRAWRRT-UHFFFAOYSA-N
XLogP2.75
TPSA43.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethyl-3-(2-trimethylsilylethynyl)pyridin-2-amine
CID 59747902
5-chloro-6-fluoro-3-(2-trimethylsilylethynyl)pyridin-2-amine
CID 156715435
6-methyl-5-(2-trimethylsilylethynyl)pyridin-3-amine
CID 171781768
2-chloro-4-methyl-6-(2-trimethylsilylethynyl)aniline
CID 10752383
2-(3,6-dichloropyridazin-4-yl)ethynyl-trimethylsilane
CID 170916693
5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine
CID 160524655
6-amino-2-tert-butyl-5-isocyanopyridine-3-carbonitrile
CID 59848748
4-iodo-3-(2-trimethylsilylethynyl)aniline
CID 174149148
trimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane
CID 90751559
2-[2,4-difluoro-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 102134851
6-bromo-5-(2-trimethylsilylethynyl)pyridin-3-amine
CID 172555112
2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane
CID 169050071

Frequently Asked Questions

What is the IUPAC name of 5-isocyano-6-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine?
The IUPAC name of 5-isocyano-6-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine (CID 123932620) is 5-isocyano-6-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine.
What is the SMILES notation for 5-isocyano-6-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine?
The canonical SMILES for 5-isocyano-6-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine is [C-]#[N+]c1cc(C#C[Si](C)(C)C)c(N)nc1C.
What is the InChIKey of 5-isocyano-6-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine?
The InChIKey is QRXGNFDHRAWRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3Si/c1-9-11(14-2)8-10(12(13)15-9)6-7-16(3,4)5/h8H,1,3-5H3,(H2,13,15).
What are the key properties of 5-isocyano-6-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine?
5-isocyano-6-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine has a molecular weight of 229.36 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isocyano-6-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine is sourced from PubChem (CID 123932620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).