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

C6H4ClN3CAS 84905-80-6153.57 g/mol

Open in Covalent MOL file
HNNNCl
Aryl halide

Properties

Molecular formula
C6H4ClN3
Molar mass
153.57 g/mol
Exact mass
153.0094 Da
logP
1.61Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
84905-80-6
SMILES
C1=CNC2=C1N=CN=C2Cl
InChIKey
ZGJDDWOXVGDTSP-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClN3/c7-6-5-4(1-2-8-5)9-3-10-6/h1-3,8H

Weigh it out

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Names and synonyms

1 names
  • 4-Chloro-5H-pyrrolo[3,2-d]pyrimidine

Work with 4-Chloro-5H-pyrrolo[3,2-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

5H-Pyrrolo[3,2-D]pyrimidin-4-amine (9ci)2227-98-755 % similar 2,4-Dichloro-5H-pyrrolo[3,2-D]pyrimidine63200-54-455 % similar 7-Chloro-1H-pyrrolo[2,3-c]pyridine357263-41-350 % similar 7-Chloro-1H-pyrrolo[3,2-b]pyridine357263-48-050 % similar 2-Amino-4-chloro-5H-pyrrolo[3,2-D]pyrimidine943736-58-150 % similar 4-Chloro-quinazoline5190-68-144 % similar 4-Chlorothieno[3,2-D]pyrimidine16269-66-242 % similar 7-Bromo-4-chloro-5H-pyrrolo[3,2-D]pyrimidine1032650-41-142 % 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-Chloropyrazolo(1,5-a)pyrimidine29274-24-6 4-Chloro-1H-pyrazolo[3,4-b]pyridine29274-28-0 2-Chloro-7H-pyrrolo[2,3-D]pyrimidine335654-06-3 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine3680-69-1 5-Chloro-3H-imidazo[4,5-B]pyridine52090-89-8 7-Chloropyrazolo[1,5-A]pyrimidine58347-49-2

Elsewhere

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