6-Hydroxymethyl-nicotinic acid methyl ester

C8H9NO3CAS 56026-36-9167.16 g/mol

Open in Covalent MOL file
OONOH
AlcoholEster

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

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 Dimethyl pyridine-2,5-dicarboxylate881-86-759 % similar Methyl 6-methylnicotinate5470-70-258 % similar Methyl 6-bromopyridine-3-carboxylate26218-78-056 % 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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