Methyl 2-pyrimidinecarboxylate

C6H6N2O2CAS 34253-03-7138.13 g/mol

Open in Covalent MOL file
OONN
Ester

Properties

Molecular formula
C6H6N2O2
Molar mass
138.13 g/mol
Exact mass
138.0429 Da
Melting point
104–105 °C
logP
0.26Crippen estimate
Polar surface area
52.1 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
34253-03-7
SMILES
COC(=O)c1ncccn1
InChIKey
JOQJEWAXHQDQAG-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O2/c1-10-6(9)5-7-3-2-4-8-5/h2-4H,1H3

Weigh it out

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Names and synonyms

1 names
  • 2-Pyrimidinecarboxylic acid, methyl ester

Work with Methyl 2-pyrimidinecarboxylate

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

2-Pyrimidinecarboxylicacid,5-methyl-,methylester(6ci,9ci)76196-80-060 % similar Methyl picolinate2459-07-658 % similar Methyl 5-bromopyrimidine-2-carboxylate89581-38-458 % similar Methyl 3-Hydroxy-2-pyridinecarboxylate62733-99-756 % similar 2,3-Dimethyl 2,3-pyridinedicarboxylate605-38-955 % similar Methyl 1H-1,2,4-triazole-5-carboxylate4928-88-553 % similar Methyl 3-methylpyridine-2-carboxylate59718-84-253 % similar Methyl 2-methylnicotinate65719-09-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Nitroaniline100-01-6 4-Aminopicolinic acid100047-36-7 Urocanic acid104-98-3 Benzoquinone dioxime105-11-3 5-Methyl-2-nitropyridine1074-38-0 2-Aminopyridine-4-carboxylic acid13362-28-2 2-Methyl-4-nitropyridine13508-96-8 2-Methyl-4-pyrimidinecarboxylic acid13627-49-1

Elsewhere

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