4-Chloro-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid

C₇H₄ClN₃O₂CAS 186519-92-6197.58 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₄ClN₃O₂
Molar mass: 197.58 g/mol
Exact mass: 196.9992 Da
logP: 1.31Crippen estimate
Polar surface area: 78.9 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
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, 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

186519-92-6

SMILES

C1=C(C2=C(N1)N=CN=C2Cl)C(=O)O

InChIKey

LRWDLEGXXQAORM-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClN3O2/c8-5-4-3(7(12)13)1-9-6(4)11-2-10-5/h1-2H,(H,12,13)(H,9,10,11)

Weigh it out

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

Names and synonyms

1 names

4-Chloro-7H-pyrrolo[2,3-D]pyrimidine-5-carboxylic acid

Work with 4-Chloro-7H-pyrrolo(2,3-d)pyrimidine-5-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

4,5-Dichloro-7H-pyrrolo[2,3-D]pyrimidine115093-90-853 % similar 4,6-Dichloropyrimidine-5-carboxylic acid87600-98-451 % similar 4-Chloro-5-iodo-7H-pyrrol[2,3-D]pyrimidine123148-78-750 % similar 4-Chloro-5-methyl-7H-pyrrolo(2,3-d)pyrimidine1618-36-650 % similar 5-Bromo-4-chloro-7H-pyrrolo[2,3-D]pyrimidine22276-95-550 % similar 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine-5-carbaldehyde908287-21-850 % similar 4-Chloro-5-cyclopropyl-7h-pyrrolo[2,3-d]pyrimidine1207543-16-547 % similar 4-Chloro-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile24391-41-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloro-5-nitro-1H-indazole101420-98-8 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine-6-carboxylic acid1016241-80-7 6-Chloroimidazo[1,2-B]pyridazine-2-carboxylic acid14714-24-0 2-Amino-3-chloro-5-nitrobenzonitrile20352-84-5 6-Chloro-4-nitro-1H-indazole885519-50-6

Elsewhere

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