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tert-Butyl (4-formylpyridin-2-yl)carbamate

HCID 21306993
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)Nc1cc(C=O)ccn1
InChIKey
KLQQTJMQHIOKJL-UHFFFAOYSA-N
Molecular formula
C11H14N2O3
Average molar mass
222.24 g/mol

Names & identifiers

Preferred name
tert-Butyl (4-formylpyridin-2-yl)carbamate
IUPAC
tert-butyl N-(4-formyl-2-pyridinyl)carbamate

Names & synonyms

tert-Butyl (4-formylpyridin-2-yl)carbamateRefChem:891891830-358-0TERT-BUTYL N-(4-FORMYLPYRIDIN-2-YL)CARBAMATEMFCD09757496TERT-BUTYL 4-FORMYLPYRIDIN-2-YLCARBAMATECarbamic acid, N-(4-formyl-2-pyridinyl)-, 1,1-dimethylethyl ester2-BOC-AMINO-4-FORMYLPYRIDINEtert-butyl N-(4-formyl-2-pyridyl)carbamatetert-Butyl(4-formylpyridin-2-yl)carbamateCarbamic acid, (4-formyl-2-pyridinyl)-, 1,1-dimethylethyl esterSCHEMBL1258539
Show more names
KLQQTJMQHIOKJL-UHFFFAOYSA-NEMA873652-(Boc-amino)pyridin-4-carbaldehydeAKOS015966429AB51561CS-W018810DS-4686tert-butyl 4-formyl-2-pyridinylcarbamate

Database identifiers

PubChem CID
21306993
Nikkaji
J2.508.452G

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
68.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Formal charge
0
Complexity
260

Related reactions

6 records
New reaction record
HRID 29753 reaction equation
HRID 29753As productuspto-grants-2008_09
HRID 29756 reaction equation
HRID 29756As reactantuspto-grants-2008_09
HRID 302008 reaction equation
HRID 302008As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 571110 reaction equation
HRID 571110As reactantuspto-grants-2015_05
HRID 899055 reaction equation
HRID 899055As productuspto-grants-2008_04
HRID 899058 reaction equation
HRID 899058As reactantuspto-grants-2008_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes