5-Methylpyrimidine-2-carboxylic acid

C₆H₆N₂O₂CAS 99420-75-4138.13 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₆H₆N₂O₂
Molar mass: 138.13 g/mol
Exact mass: 138.0429 Da
logP: 0.48Crippen estimate
Polar surface area: 63.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

99420-75-4

SMILES

CC1=CN=C(N=C1)C(=O)O

InChIKey

BADCKQUVPNDPJZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H6N2O2/c1-4-2-7-5(6(9)10)8-3-4/h2-3H,1H3,(H,9,10)

Weigh it out

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

Names and synonyms

1 names

2-Pyrimidinecarboxylic acid, 5-methyl- (6ci,9ci)

Work with 5-Methylpyrimidine-2-carboxylic acid

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

5-Bromopyrimidine-2-carboxylic acid37131-87-659 % similar 5-Methyl-2,3-pyridinedicarboxylic acid53636-65-055 % similar Pyrimidine-2-carboxylic acid31519-62-754 % similar 2-Pyrimidinecarboxylicacid,5-methyl-,methylester(6ci,9ci)76196-80-050 % similar 5-Methylnicotinic acid3222-49-948 % similar 2-Methylpyrimidine-5-carboxylic acid5194-32-148 % similar 4-Methylpyridine-2-carboxylic acid4021-08-347 % similar 3,5-Dimethylbenzoic acid499-06-947 % 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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