4-Formyl-2-methoxyphenyl pyridine-3-carboxylate

HCID 889780CAS 380431-06-1
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Basic information

Standard SMILES
COc1cc(C=O)ccc1OC(=O)c1cccnc1
InChIKey
NIEKGVVKLQOETF-UHFFFAOYSA-N
Molecular formula
C14H11NO4
Average molar mass
257.24 g/mol
Monoisotopic mass
257.06880783

Names & identifiers

Preferred name
4-Formyl-2-methoxyphenyl pyridine-3-carboxylate
IUPAC
(4-formyl-2-methoxyphenyl) pyridine-3-carboxylate

Names & synonyms

380431-06-14-formyl-2-methoxyphenyl pyridine-3-carboxylateNicotinic acid 4-formyl-2-methoxy-phenyl ester(4-formyl-2-methoxyphenyl) pyridine-3-carboxylateMFCD03150673Oprea1_814872Oprea1_856106MLS000974842CHEMBL1333694SCHEMBL12726625NIEKGVVKLQOETF-UHFFFAOYSA-NDTXSID401332212
Show more names
HMS2836A084-formyl-2-methoxyphenyl nicotinateFQA43106AKOS000121677SMR000497639CS-0218477EN300-011034-formyl-2-methoxyphenylpyridine-3-carboxylate

Database identifiers

CAS
380431-06-1
PubChem CID
889780
DTXSID
DTXSID401332212
ChEMBL
CHEMBL1333694

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
65.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
19

Experimental & physicochemical properties

Solubility33.7 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

1 records
New reaction record

Linked notes

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