2-Chloropyrimidine-4-carboxylic acid

C₅H₃ClN₂O₂CAS 149849-92-3158.54 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₅H₃ClN₂O₂
Molar mass: 158.54 g/mol
Exact mass: 157.9883 Da
logP: 0.83Crippen estimate
Polar surface area: 63.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

149849-92-3

SMILES

C1=CN=C(N=C1C(=O)O)Cl

InChIKey

YMDSUQSBJRDYLI-UHFFFAOYSA-N

InChI

InChI=1S/C5H3ClN2O2/c6-5-7-2-1-3(8-5)4(9)10/h1-2H,(H,9,10)

Weigh it out

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

Work with 2-Chloropyrimidine-4-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

2-Methyl-4-pyrimidinecarboxylic acid13627-49-161 % similar 2-Aminopyrimidine-4-carboxylic acid2164-65-061 % similar Dipicolinic acid499-83-259 % similar 2-Chloropyrimidine-4-carboxamide22536-66-958 % similar 4-Chloropyridine-2-carboxylic acid5470-22-456 % similar 6-Chloropicolinic acid4684-94-055 % similar 2,2'-Bipyridine-6,6'-dicarboxylic acid4479-74-753 % similar Methyl 2-chloropyrimidine-4-carboxylate149849-94-553 % similar

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

Same formula

4-Chloro-3-nitropyridine13091-23-1 2-Chloro-4-nitropyridine23056-36-2 6-Chloropyrazine-2-carboxylic acid23688-89-3 3-Chloro-2-pyrazine-carboxylic acid27398-39-6 2-Chloro-3-nitropyridine34515-82-7 5-Chloro-2-pyrazinecarboxylic acid36070-80-1 6-Chloro-4-pyrimidinecarboxylic acid37131-91-2 2-Chloropyrimidine-5-carboxylic acid374068-01-6

Elsewhere

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