Methyl 6-(hydroxymethyl)picolinate

C8H9NO3CAS 39977-44-1167.16 g/mol

Open in Covalent MOL file
OOHON
AlcoholEster

Properties

Molecular formula
C8H9NO3
Molar mass
167.16 g/mol
Exact mass
167.0582 Da
Melting point
178 °C
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 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
39977-44-1
SMILES
COC(=O)c1cccc(CO)n1
InChIKey
DVIUNMLAPDJWHL-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3/c1-12-8(11)7-4-2-3-6(5-10)9-7/h2-4,10H,5H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 2-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, methyl ester
  • 2-(Hydroxymethyl)-6-methoxycarbonylpyridine
  • Methyl 6-(hydroxymethyl)-2-pyridinecarboxylate
  • 6-(Hydroxymethyl)picolinic acid methyl ester

Work with Methyl 6-(hydroxymethyl)picolinate

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

Dimethyl 2,6-pyridinedicarboxylate5453-67-867 % similar Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate142593-07-561 % similar 6-Fluoropyridine-2-carboxylic acid methyl ester455-71-061 % similar 6-(Methoxycarbonyl)pyridine-2-carboxylic acid7170-36-759 % similar 6-Methylpyridine-2-carboxylic acid methyl ester13602-11-458 % similar Methyl 6-chloropicolinate6636-55-158 % similar Methyl 6-bromo-2-pyridinecarboxylate26218-75-756 % similar Methyl 6-methoxypyridine-2-carboxylate26256-72-456 % 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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