chempirical

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

C6H4ClN3CAS 3680-69-1153.57 g/mol

Open in Covalent MOL file
ClNNHN
Aryl halide

Properties

Molecular formula
C6H4ClN3
Molar mass
153.57 g/mol
Exact mass
153.0094 Da
Melting point
188 °C (decomposes)
logP
1.56Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
3680-69-1
SMILES
Clc1nc[nH]c2nccc1-2
InChIKey
BPTCCCTWWAUJRK-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10)

Weigh it out

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

Names and synonyms

6 names
  • 7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-
  • 1H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-
  • 4-Chloropyrrolo[2,3-d]pyrimidine
  • NSC 64952
  • 6-Chloro-7-deazapurine
  • 4-Chloro-1H-pyrrolo[2,3-d]pyrimidine

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

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

7-Deazaadenine1500-85-255 % similar 2,4-Dichloro-7H-pyrrolo[2,3-D]pyrimidine90213-66-452 % similar 6-Chloropurine87-42-350 % similar 4-Chloro-5-fluoro-1H-pyrrolo[2,3-B]pyridine882033-66-148 % similar 5-Bromo-4-chloro-1H-pyrrolo[2,3-B]pyridine876343-82-744 % similar 4-Fluoro-1H-pyrrolo[2,3-B]pyridine640735-23-541 % similar 1H-Pyrrolo[2,3-B]pyridin-4-ol74420-02-341 % similar 7-Chloro-1H-pyrrolo[2,3-C]pyridine357263-41-339 % similar

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

Same formula

2-Chloro-5H-pyrrolo[3,2-D]pyrimidine1119280-66-8 6-Chloro-1H-pyrazolo(4,3-c)pyridine1206979-33-0 5-Chlorobenzotriazole94-97-3

Elsewhere

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