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

C₇H₆ClN₃CAS 7781-10-4167.60 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₇H₆ClN₃
Molar mass: 167.60 g/mol
Exact mass: 167.0250 Da
logP: 1.62Crippen estimate
Polar surface area: 30.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed25% of notifiers
H302 Harmful if swallowed75% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

7781-10-4

SMILES

CN1C=CC2=C1N=CN=C2Cl

InChIKey

BJGDLOLPALCTJQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClN3/c1-11-3-2-5-6(8)9-4-10-7(5)11/h2-4H,1H3

Weigh it out

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

Work with 4-Chloro-7-methyl-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

6-Chloro-9-methylpurine2346-74-951 % similar 4-Chloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine23000-43-350 % similar 4-Chloro-7-(p-toluenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine479633-63-147 % similar 4-Chloro-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo(2,3-d)pyrimidine941685-26-346 % similar (4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate1146629-75-544 % similar 4-Chloro-quinazoline5190-68-140 % similar 4-Chlorothieno[2,3-D]pyrimidine14080-59-239 % similar 4-Chloro-6-iodoquinazoline98556-31-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloro-2-methylimidazo(1,2-b)pyridazine14793-00-1 4-Chloro-5-methyl-7H-pyrrolo(2,3-d)pyrimidine1618-36-6 6-Chloro-1H-indazol-3-amine16889-21-7 3-Chloro-2H-indazol-6-amine21413-23-0 4-Chloro-6-methyl-7H-pyrrolo[2,3-D]pyrimidine35808-68-5 2-Amino-5-chlorobenzimidazole5418-93-9 2,3-Diamino-6-chlorobenzonitrile548457-80-3 4-Chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine71149-52-5

Elsewhere

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