6-Hydroxymethyl-nicotinic acid methyl ester

C₈H₉NO₃CAS 56026-36-9167.16 g/mol

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Properties

Molecular formula: C₈H₉NO₃
Molar mass: 167.16 g/mol
Exact mass: 167.0582 Da
logP: 0.36Crippen estimate
Polar surface area: 59.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

56026-36-9

SMILES

COC(=O)C1=CN=C(C=C1)CO

InChIKey

QVLONHSXRWCCAE-UHFFFAOYSA-N

InChI

InChI=1S/C8H9NO3/c1-12-8(11)6-2-3-7(5-10)9-4-6/h2-4,10H,5H2,1H3

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Names and synonyms

1 names

Methyl 6-(hydroxymethyl)nicotinate

Work with 6-Hydroxymethyl-nicotinic acid methyl ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 6-(bromomethyl)nicotinate131803-48-068 % similar 2-Chloromethylpyridine-5-carboxylic acid methyl ester49668-90-868 % similar 6-Fluoronicotinic acid methyl ester1427-06-161 % similar Methyl 6-methoxynicotinate26218-80-461 % similar Methyl 4-(hydroxymethyl)benzoate6908-41-459 % similar Methyl 6-methylnicotinate5470-70-258 % similar Methyl 6-bromopyridine-3-carboxylate26218-78-056 % similar Methyl 6-aminonicotinate36052-24-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(4-Nitrophenyl)ethanol100-27-6 P-Nitrophenetole100-29-8 1-Methoxy-4-methyl-2-nitrobenzene119-10-8 Glycin122-87-2 2-Methoxy-1-methyl-4-nitrobenzene13120-77-9 2,4-Dimethyl-6-nitrophenol14452-34-7 2-Nitrobenzeneethanol15121-84-3 4-Methoxy-1-methyl-2-nitrobenzene17484-36-5

Elsewhere

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