tert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium

C10H13N2O2Y- — CID 167499959

IUPACtert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium
SMILESCC(C)(C)OC(=O)Nc1cc[c-]nc1.[Y]
InChIInChI=1S/C10H13N2O2.Y/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8;/h4-5,7H,1-3H3,(H,12,13);/q-1;
InChIKeyPSQMFELMUAPVLU-UHFFFAOYSA-N
MW282.13 g/mol
LogP2.23
Rot. Bonds1

About tert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium

tert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium (PubChem CID 167499959) has the molecular formula C10H13N2O2Y- and a molecular weight of 282.13 g/mol. Its IUPAC name is tert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium.

Molecular Properties

Compound Nametert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium
PubChem CID167499959
Molecular FormulaC10H13N2O2Y-
Molecular Weight282.13 g/mol
Exact Mass282.00
IUPAC Nametert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium
SMILESCC(C)(C)OC(=O)Nc1cc[c-]nc1.[Y]
InChIInChI=1S/C10H13N2O2.Y/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8;/h4-5,7H,1-3H3,(H,12,13);/q-1;
InChIKeyPSQMFELMUAPVLU-UHFFFAOYSA-N
XLogP2.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium?
The IUPAC name of tert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium (CID 167499959) is tert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium.
What is the SMILES notation for tert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium?
The canonical SMILES for tert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium is CC(C)(C)OC(=O)Nc1cc[c-]nc1.[Y].
What is the InChIKey of tert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium?
The InChIKey is PSQMFELMUAPVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2O2.Y/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8;/h4-5,7H,1-3H3,(H,12,13);/q-1;.
What are the key properties of tert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium?
tert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium has a molecular weight of 282.13 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium is sourced from PubChem (CID 167499959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).