3,5-Dichloro-4-oxo-4H-pyridine-1-acetic acid

C₇H₅Cl₂NO₃CAS 56187-37-2222.02 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₅Cl₂NO₃
Molar mass: 222.02 g/mol
Exact mass: 220.9646 Da
logP: 1.24Crippen estimate
Polar surface area: 59.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

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

Aggregated from 4 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

56187-37-2

SMILES

O=C(O)Cn1cc(Cl)c(=O)c(Cl)c1

InChIKey

MFMXEEQESUEMSB-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Cl2NO3/c8-4-1-10(3-6(11)12)2-5(9)7(4)13/h1-2H,3H2,(H,11,12)

Weigh it out

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

Names and synonyms

6 names

3,5-Dichloro-4-oxo-1(4H)-pyridineacetic acid
1(4H)-Pyridineacetic acid, 3,5-dichloro-4-oxo-
3,5-Dichloro-4-pyridone-1-acetic acid
2-(3,5-Dichloro-4-oxopyridin-1-yl)acetic acid
2-(3,5-Dichloro-4-oxopyridin-1(4H)-yl)acetic acid
2-(3,5-Dichloro-4-oxo-1,4-dihydropyridin-1-yl)acetic acid

Work with 3,5-Dichloro-4-oxo-4H-pyridine-1-acetic 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

3,5-Diiodo-4-oxo-1(4H)-pyridineacetic acid101-29-160 % similar N-(Carboxymethyl)acridone38609-97-141 % similar Benazolin3813-05-641 % similar 2,6-Dichlorophenylacetic acid6575-24-241 % similar 2,4,5-Trichlorophenoxyacetic acid93-76-540 % similar 1H-Imidazole-1-acetic acid22884-10-239 % similar o-Chlorophenylacetic acid2444-36-238 % similar 3,4-Dichlorophenylacetic acid5807-30-738 % similar

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

Same formula

1,3-Dichloro-2-methoxy-5-nitrobenzene17742-69-7

Elsewhere

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