tert-butyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate

C10H13IN2O3 — CID 22556017

IUPACtert-butyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(I)c[nH]c1=O
InChIInChI=1S/C10H13IN2O3/c1-10(2,3)16-9(15)13-7-4-6(11)5-12-8(7)14/h4-5H,1-3H3,(H,12,14)(H,13,15)
InChIKeyNLWQZZCGNXENMD-UHFFFAOYSA-N
MW336.13 g/mol
LogP2.33
Rot. Bonds1

About tert-butyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate

tert-butyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate (PubChem CID 22556017) has the molecular formula C10H13IN2O3 and a molecular weight of 336.13 g/mol. Its IUPAC name is tert-butyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate
PubChem CID22556017
Molecular FormulaC10H13IN2O3
Molecular Weight336.13 g/mol
Exact Mass336.00
IUPAC Nametert-butyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(I)c[nH]c1=O
InChIInChI=1S/C10H13IN2O3/c1-10(2,3)16-9(15)13-7-4-6(11)5-12-8(7)14/h4-5H,1-3H3,(H,12,14)(H,13,15)
InChIKeyNLWQZZCGNXENMD-UHFFFAOYSA-N
XLogP2.33
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate (CID 22556017) is tert-butyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate is CC(C)(C)OC(=O)Nc1cc(I)c[nH]c1=O.
What is the InChIKey of tert-butyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate?
The InChIKey is NLWQZZCGNXENMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O3/c1-10(2,3)16-9(15)13-7-4-6(11)5-12-8(7)14/h4-5H,1-3H3,(H,12,14)(H,13,15).
What are the key properties of tert-butyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate?
tert-butyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate has a molecular weight of 336.13 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate is sourced from PubChem (CID 22556017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).