CID 119080591

C8H6NOSi — CID 119080591

IUPAC—
SMILESC#CC(O[Si])c1ccccn1
InChIInChI=1S/C8H6NOSi/c1-2-8(10-11)7-5-3-4-6-9-7/h1,3-6,8H
InChIKeyCCQGDISVVYIKBV-UHFFFAOYSA-N
MW160.23 g/mol
LogP0.86
Rot. Bonds2

About CID 119080591

CID 119080591 (PubChem CID 119080591) has the molecular formula C8H6NOSi and a molecular weight of 160.23 g/mol.

Molecular Properties

Compound NameCID 119080591
PubChem CID119080591
Molecular FormulaC8H6NOSi
Molecular Weight160.23 g/mol
Exact Mass160.02
IUPAC Name—
SMILESC#CC(O[Si])c1ccccn1
InChIInChI=1S/C8H6NOSi/c1-2-8(10-11)7-5-3-4-6-9-7/h1,3-6,8H
InChIKeyCCQGDISVVYIKBV-UHFFFAOYSA-N
XLogP0.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 50.86
H-Bond Donors ≤ 50
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

2-(1-chloroprop-2-ynyl)pyridine
CID 146397078
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
2-(1,3-dichloropropan-2-yl)pyridine
CID 14046520
ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174
2,2-dipyridin-2-ylacetonitrile
CID 14006057
1-methoxy-N,N-dimethyl-1-pyridin-2-ylmethanamine
CID 116914548
[cyano(pyridin-2-yl)methyl] methyl carbonate
CID 11252507
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide
CID 126689202
2-(dichloromethyl)pyridine;hydrochloride
CID 18385076
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268

Frequently Asked Questions

What is the IUPAC name of CID 119080591?
The IUPAC name of CID 119080591 (CID 119080591) is not available.
What is the SMILES notation for CID 119080591?
The canonical SMILES for CID 119080591 is C#CC(O[Si])c1ccccn1.
What is the InChIKey of CID 119080591?
The InChIKey is CCQGDISVVYIKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6NOSi/c1-2-8(10-11)7-5-3-4-6-9-7/h1,3-6,8H.
What are the key properties of CID 119080591?
CID 119080591 has a molecular weight of 160.23 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 119080591 is sourced from PubChem (CID 119080591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).