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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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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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

Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate187725-00-458 % similar 4,6-Dichloropyrimidine-5-carboxylic acid87600-98-451 % similar 4-Chloro-6-methyl-7H-pyrrolo[2,3-D]pyrimidine35808-68-550 % similar 6-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine784150-41-050 % similar 4-Chloro-6-iodo-7H-pyrrolo(2,3-d)pyrimidine876343-10-150 % similar 5-Fluoro-1H-pyrrolo[2,3-B]pyridine-2-carboxylic acid920978-94-548 % similar 1H-Pyrrolo[2,3-B]pyridine-2-carboxylic acid136818-50-345 % similar 4,6-Dichloro-1H-indole-2-carboxylic acid101861-63-644 % 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 4-Chloro-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid186519-92-6 2-Amino-3-chloro-5-nitrobenzonitrile20352-84-5 6-Chloro-4-nitro-1H-indazole885519-50-6

Elsewhere

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