5-ethynylpyridin-2-amine;ethynyl(trimethyl)silane;5-iodopyridin-2-amine;5-(2-trimethylsilylethynyl)pyridin-2-amine

C27H35IN6Si2 — CID 159090913

IUPAC5-ethynylpyridin-2-amine;ethynyl(trimethyl)silane;5-iodopyridin-2-amine;5-(2-trimethylsilylethynyl)pyridin-2-amine
SMILESC#C[Si](C)(C)C.C#Cc1ccc(N)nc1.C[Si](C)(C)C#Cc1ccc(N)nc1.Nc1ccc(I)cn1
InChIInChI=1S/C10H14N2Si.C7H6N2.C5H5IN2.C5H10Si/c1-13(2,3)7-6-9-4-5-10(11)12-8-9;1-2-6-3-4-7(8)9-5-6;6-4-1-2-5(7)8-3-4;1-5-6(2,3)4/h4-5,8H,1-3H3,(H2,11,12);1,3-5H,(H2,8,9);1-3H,(H2,7,8);1H,2-4H3
InChIKeyKCAVYXFSYORVBH-UHFFFAOYSA-N
MW626.70 g/mol
LogP5.30
Rot. Bonds

About 5-ethynylpyridin-2-amine;ethynyl(trimethyl)silane;5-iodopyridin-2-amine;5-(2-trimethylsilylethynyl)pyridin-2-amine

5-ethynylpyridin-2-amine;ethynyl(trimethyl)silane;5-iodopyridin-2-amine;5-(2-trimethylsilylethynyl)pyridin-2-amine (PubChem CID 159090913) has the molecular formula C27H35IN6Si2 and a molecular weight of 626.70 g/mol. Its IUPAC name is 5-ethynylpyridin-2-amine;ethynyl(trimethyl)silane;5-iodopyridin-2-amine;5-(2-trimethylsilylethynyl)pyridin-2-amine.

Molecular Properties

Compound Name5-ethynylpyridin-2-amine;ethynyl(trimethyl)silane;5-iodopyridin-2-amine;5-(2-trimethylsilylethynyl)pyridin-2-amine
PubChem CID159090913
Molecular FormulaC27H35IN6Si2
Molecular Weight626.70 g/mol
Exact Mass626.15
IUPAC Name5-ethynylpyridin-2-amine;ethynyl(trimethyl)silane;5-iodopyridin-2-amine;5-(2-trimethylsilylethynyl)pyridin-2-amine
SMILESC#C[Si](C)(C)C.C#Cc1ccc(N)nc1.C[Si](C)(C)C#Cc1ccc(N)nc1.Nc1ccc(I)cn1
InChIInChI=1S/C10H14N2Si.C7H6N2.C5H5IN2.C5H10Si/c1-13(2,3)7-6-9-4-5-10(11)12-8-9;1-2-6-3-4-7(8)9-5-6;6-4-1-2-5(7)8-3-4;1-5-6(2,3)4/h4-5,8H,1-3H3,(H2,11,12);1,3-5H,(H2,8,9);1-3H,(H2,7,8);1H,2-4H3
InChIKeyKCAVYXFSYORVBH-UHFFFAOYSA-N
XLogP5.30
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.70
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethynylpyridin-2-amine;ethynyl(trimethyl)silane;5-iodopyridin-2-amine;5-(2-trimethylsilylethynyl)pyridin-2-amine?
The IUPAC name of 5-ethynylpyridin-2-amine;ethynyl(trimethyl)silane;5-iodopyridin-2-amine;5-(2-trimethylsilylethynyl)pyridin-2-amine (CID 159090913) is 5-ethynylpyridin-2-amine;ethynyl(trimethyl)silane;5-iodopyridin-2-amine;5-(2-trimethylsilylethynyl)pyridin-2-amine.
What is the SMILES notation for 5-ethynylpyridin-2-amine;ethynyl(trimethyl)silane;5-iodopyridin-2-amine;5-(2-trimethylsilylethynyl)pyridin-2-amine?
The canonical SMILES for 5-ethynylpyridin-2-amine;ethynyl(trimethyl)silane;5-iodopyridin-2-amine;5-(2-trimethylsilylethynyl)pyridin-2-amine is C#C[Si](C)(C)C.C#Cc1ccc(N)nc1.C[Si](C)(C)C#Cc1ccc(N)nc1.Nc1ccc(I)cn1.
What is the InChIKey of 5-ethynylpyridin-2-amine;ethynyl(trimethyl)silane;5-iodopyridin-2-amine;5-(2-trimethylsilylethynyl)pyridin-2-amine?
The InChIKey is KCAVYXFSYORVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2Si.C7H6N2.C5H5IN2.C5H10Si/c1-13(2,3)7-6-9-4-5-10(11)12-8-9;1-2-6-3-4-7(8)9-5-6;6-4-1-2-5(7)8-3-4;1-5-6(2,3)4/h4-5,8H,1-3H3,(H2,11,12);1,3-5H,(H2,8,9);1-3H,(H2,7,8);1H,2-4H3.
What are the key properties of 5-ethynylpyridin-2-amine;ethynyl(trimethyl)silane;5-iodopyridin-2-amine;5-(2-trimethylsilylethynyl)pyridin-2-amine?
5-ethynylpyridin-2-amine;ethynyl(trimethyl)silane;5-iodopyridin-2-amine;5-(2-trimethylsilylethynyl)pyridin-2-amine has a molecular weight of 626.70 g/mol, XLogP of 5.30, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynylpyridin-2-amine;ethynyl(trimethyl)silane;5-iodopyridin-2-amine;5-(2-trimethylsilylethynyl)pyridin-2-amine is sourced from PubChem (CID 159090913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).