chempirical

4-Chloro-7H-pyrrolo[2,3-D]pyrimidine-6-carboxylic acid

C7H4ClN3O2CAS 1016241-80-7197.58 g/mol

Open in Covalent MOL file
HNNNClOHO
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
1016241-80-7
SMILES
C1=C(NC2=C1C(=NC=N2)Cl)C(=O)O
InChIKey
NXTZXTJRFVPNNX-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClN3O2/c8-5-3-1-4(7(12)13)11-6(3)10-2-9-5/h1-2H,(H,12,13)(H,9,10,11)

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

Work with 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine-6-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

6-Bromo-4-chloro-7H-pyrrolo[2,3-D]pyrimidine784150-41-050 % similar 4,6-Dichloro-1H-indole-2-carboxylic acid101861-63-644 % similar 5-Chloro-1H-pyrrolo[2,3-C]pyridine-2-carboxylic acid800401-68-743 % similar 4-Methyl-1H-indole-2-carboxylic acid18474-57-241 % similar 4-Fluoro-1H-indole-2-carboxylic acid399-68-841 % similar Chelidamic acid138-60-341 % similar 6-Chloro-4-pyrimidinecarboxylic acid37131-91-240 % similar 7-Chloro-1H-indole-2-carboxylic acid28899-75-440 % similar

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

Same formula

6-Chloro-5-nitro-1H-indazole101420-98-8 6-Chloroimidazo[1,2-B]pyridazine-2-carboxylic acid14714-24-0 2-Amino-3-chloro-5-nitrobenzonitrile20352-84-5

Elsewhere

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