tert-butyl N-(5-chloro-2-pyridinyl)carbamate

C10H13ClN2O2 — CID 46739190

IUPACtert-butyl N-(5-chloro-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C10H13ClN2O2/c1-10(2,3)15-9(14)13-8-5-4-7(11)6-12-8/h4-6H,1-3H3,(H,12,13,14)
InChIKeyCEZBERPWXUYBQB-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.08
Rot. Bonds1

About tert-butyl N-(5-chloro-2-pyridinyl)carbamate

tert-butyl N-(5-chloro-2-pyridinyl)carbamate (PubChem CID 46739190) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is tert-butyl N-(5-chloro-2-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-chloro-2-pyridinyl)carbamate
PubChem CID46739190
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Nametert-butyl N-(5-chloro-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C10H13ClN2O2/c1-10(2,3)15-9(14)13-8-5-4-7(11)6-12-8/h4-6H,1-3H3,(H,12,13,14)
InChIKeyCEZBERPWXUYBQB-UHFFFAOYSA-N
XLogP3.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-chloro-2-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(5-chloro-2-pyridinyl)carbamate (CID 46739190) is tert-butyl N-(5-chloro-2-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-chloro-2-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(5-chloro-2-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of tert-butyl N-(5-chloro-2-pyridinyl)carbamate?
The InChIKey is CEZBERPWXUYBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-10(2,3)15-9(14)13-8-5-4-7(11)6-12-8/h4-6H,1-3H3,(H,12,13,14).
What are the key properties of tert-butyl N-(5-chloro-2-pyridinyl)carbamate?
tert-butyl N-(5-chloro-2-pyridinyl)carbamate has a molecular weight of 228.68 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-chloro-2-pyridinyl)carbamate is sourced from PubChem (CID 46739190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).