CAS
97480-93-8 Purity
96%
97480-93-8 Purity
96%
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2-Acetonitrilpyridine-6-carboxylic acid ehtyl ester
CAS
97483-79-9
Catalog Number
ACM97483799
Category
Other Products
Molecular Weight
190.201
Molecular Formula
C10H10N2O2
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Specification
Synonyms
2-ACETONITRILPYRIDINE-6-CARBOXYLIC ACID EHTYL ESTER
IUPAC Name
ethyl 6-cyanopyridine-2-carboxylate
Canonical SMILES
CCOC(=O)C1=CC=CC(=N1)C#N
InChI Key
FYOOHRDXEPERKP-UHFFFAOYSA-N
Exact Mass
176.05900
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of the compound provided in the reference?
The molecular formula is C10H10N2O2.
What are the synonyms of the compound?
The synonyms include Ethyl 6-(cyanomethyl)picolinate, 2-Acetonitrilpyridine-6-carboxylic acid ethyl ester, ethyl 6-(cyanomethyl)pyridine-2-carboxylate, and AMY26838.
When was the compound created and last modified?
The compound was created on 2008-02-29 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is ethyl 6-(cyanomethyl)pyridine-2-carboxylate.
What is the InChI of the compound?
The InChI is InChI=1S/C10H10N2O2/c1-2-14-10(13)9-5-3-4-8(12-9)6-7-11/h3-5H,2,6H2,1H3.
What is the InChIKey of the compound?
The InChIKey is ZBJVYPLOHORYBD-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CCOC(=O)C1=CC=CC(=N1)CC#N.
What is the molecular weight of the compound?
The molecular weight is 190.20 g/mol.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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