Tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate

Name: Tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₇ClN₂O₃ — CID 159769614

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACtert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate

SMILESCC(C)(C)OC(=O)NCC(=O)Cc1ccc(Cl)cn1

InChIInChI=1S/C13H17ClN2O3/c1-13(2,3)19-12(18)16-8-11(17)6-10-5-4-9(14)7-15-10/h4-5,7H,6,8H2,1-3H3,(H,16,18)

InChIKeyNFYIZAUPCJSZQY-UHFFFAOYSA-N

MW284.74 g/mol

LogP2.37

Rot. Bonds4

About Tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate

Tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate (PubChem CID 159769614) has the molecular formula C₁₃H₁₇ClN₂O₃ and a molecular weight of 284.74 g/mol. Its IUPAC name is tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate.

Molecular Properties

Compound Name	Tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate
PubChem CID	159769614
Molecular Formula	C₁₃H₁₇ClN₂O₃
Molecular Weight	284.74 g/mol
Exact Mass	284.09
IUPAC Name	tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate
SMILES	CC(C)(C)OC(=O)NCC(=O)Cc1ccc(Cl)cn1
InChI	InChI=1S/C13H17ClN2O3/c1-13(2,3)19-12(18)16-8-11(17)6-10-5-4-9(14)7-15-10/h4-5,7H,6,8H2,1-3H3,(H,16,18)
InChIKey	NFYIZAUPCJSZQY-UHFFFAOYSA-N
XLogP	2.37
TPSA	68.29 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.74
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate?

The IUPAC name of Tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate (CID 159769614) is tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate.

What is the SMILES notation for Tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate?

The canonical SMILES for Tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate is CC(C)(C)OC(=O)NCC(=O)Cc1ccc(Cl)cn1.

What is the InChIKey of Tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate?

The InChIKey is NFYIZAUPCJSZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-13(2,3)19-12(18)16-8-11(17)6-10-5-4-9(14)7-15-10/h4-5,7H,6,8H2,1-3H3,(H,16,18).

What are the key properties of Tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate?

Tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate has a molecular weight of 284.74 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate is sourced from PubChem (CID 159769614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 159769614 — identifiers, structure, computed properties (public domain)

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