methyl 2-[1-(2-hydroxyethyl)-1H-imidazol-4-yl]pyridine-4-carboxylate

HCID 90407409
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Basic information

Standard SMILES
COC(=O)c1ccnc(-c2cn(CCO)cn2)c1
InChIKey
XUEANJSDPMKHGO-UHFFFAOYSA-N
Molecular formula
C12H13N3O3
Average molar mass
247.25 g/mol
Monoisotopic mass
247.09569129

Names & identifiers

Preferred name
methyl 2-[1-(2-hydroxyethyl)-1H-imidazol-4-yl]pyridine-4-carboxylate
IUPAC
methyl 2-[1-(2-hydroxyethyl)imidazol-4-yl]pyridine-4-carboxylate

Names & synonyms

SCHEMBL16033892XUEANJSDPMKHGO-UHFFFAOYSA-Nmethyl 2-[1-(2-hydroxyethyl)-1H-imidazol-4-yl]pyridine-4-carboxylate

Database identifiers

PubChem CID
90407409

Properties

Computed structural properties

XLogP
-0.3
Topological polar surface area
77.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
18

Related reactions

1 records
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Compound notes

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