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Structure

tert-Butyl((5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)methyl)carbamate

CAS
1228666-42-9
Catalog Number
ACM1228666429
Category
Fluorinated Azaindoles
Molecular Weight
265.28
Molecular Formula
C10H9FN2

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Specification

Hazard Statements
H302-H319
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of the compound?

The molecular formula of the compound is C13H16FN3O2.

What are some synonyms of the compound?

Some synonyms of the compound are tert-Butyl ((5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)methyl)carbamate and tert-butyl N-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]carbamate.

What is the molecular weight of the compound?

The molecular weight of the compound is 265.28 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is tert-butyl N-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]carbamate.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C13H16FN3O2/c1-13(2,3)19-12(18)17-6-9-8-4-5-15-11(8)16-7-10(9)14/h4-5,7H,6H2,1-3H3,(H,15,16)(H,17,18).

What is the InChIKey of the compound?

The InChIKey of the compound is ILNJJLYIJFAGBI-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC(C)(C)OC(=O)NCC1=C2C=CNC2=NC=C1F.

What is the CAS number of the compound?

The CAS number of the compound is 1228666-42-9.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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