[6-(2-trimethylsilylethynyl)-3-pyridinyl]carbamic acid

C11H14N2O2Si — CID 66917597

IUPAC[6-(2-trimethylsilylethynyl)-3-pyridinyl]carbamic acid
SMILESC[Si](C)(C)C#Cc1ccc(NC(=O)O)cn1
InChIInChI=1S/C11H14N2O2Si/c1-16(2,3)7-6-9-4-5-10(8-12-9)13-11(14)15/h4-5,8,13H,1-3H3,(H,14,15)
InChIKeyRUHZZFNVAYLIGZ-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.40
Rot. Bonds1

About [6-(2-trimethylsilylethynyl)-3-pyridinyl]carbamic acid

[6-(2-trimethylsilylethynyl)-3-pyridinyl]carbamic acid (PubChem CID 66917597) has the molecular formula C11H14N2O2Si and a molecular weight of 234.33 g/mol. Its IUPAC name is [6-(2-trimethylsilylethynyl)-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[6-(2-trimethylsilylethynyl)-3-pyridinyl]carbamic acid
PubChem CID66917597
Molecular FormulaC11H14N2O2Si
Molecular Weight234.33 g/mol
Exact Mass234.08
IUPAC Name[6-(2-trimethylsilylethynyl)-3-pyridinyl]carbamic acid
SMILESC[Si](C)(C)C#Cc1ccc(NC(=O)O)cn1
InChIInChI=1S/C11H14N2O2Si/c1-16(2,3)7-6-9-4-5-10(8-12-9)13-11(14)15/h4-5,8,13H,1-3H3,(H,14,15)
InChIKeyRUHZZFNVAYLIGZ-UHFFFAOYSA-N
XLogP2.40
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6-ethynyl-3-pyridinyl)carbamic acid
CID 87204511
(6-acetyl-3-pyridinyl)carbamic acid
CID 121318234
N-(6-cyano-3-pyridinyl)acetamide
CID 59578592
1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]ethanol
CID 172994132
N-(oxan-3-yl)-6-(2-trimethylsilylethynyl)pyridin-3-amine
CID 177212490
[6-(aminomethyl)-3-pyridinyl]carbamic acid
CID 118212846
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
tert-butyl N-[4-[[[5-(2-trimethylsilylethynyl)pyrazin-2-yl]amino]methyl]phenyl]carbamate
CID 167328925
[6-(1-fluorocyclopropyl)-3-pyridinyl]carbamic acid
CID 175536090
[6-(1,2-dihydroxyethyl)-3-pyridinyl]carbamic acid
CID 139580255
(3R)-5-[(6-cyano-3-pyridinyl)amino]-3-methyl-5-oxopentanoic acid
CID 129392453
N-[8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177212968

Frequently Asked Questions

What is the IUPAC name of [6-(2-trimethylsilylethynyl)-3-pyridinyl]carbamic acid?
The IUPAC name of [6-(2-trimethylsilylethynyl)-3-pyridinyl]carbamic acid (CID 66917597) is [6-(2-trimethylsilylethynyl)-3-pyridinyl]carbamic acid.
What is the SMILES notation for [6-(2-trimethylsilylethynyl)-3-pyridinyl]carbamic acid?
The canonical SMILES for [6-(2-trimethylsilylethynyl)-3-pyridinyl]carbamic acid is C[Si](C)(C)C#Cc1ccc(NC(=O)O)cn1.
What is the InChIKey of [6-(2-trimethylsilylethynyl)-3-pyridinyl]carbamic acid?
The InChIKey is RUHZZFNVAYLIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2Si/c1-16(2,3)7-6-9-4-5-10(8-12-9)13-11(14)15/h4-5,8,13H,1-3H3,(H,14,15).
What are the key properties of [6-(2-trimethylsilylethynyl)-3-pyridinyl]carbamic acid?
[6-(2-trimethylsilylethynyl)-3-pyridinyl]carbamic acid has a molecular weight of 234.33 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-trimethylsilylethynyl)-3-pyridinyl]carbamic acid is sourced from PubChem (CID 66917597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).