2,4,7-Trichloropyrido(2,3-d)pyrimidine

C₇H₂Cl₃N₃CAS 938443-20-0234.46 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₂Cl₃N₃
Molar mass: 234.46 g/mol
Exact mass: 232.9314 Da
logP: 2.98Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed95% of notifiers
H318 Causes serious eye damage95% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, P501

Identifiers

CAS number

938443-20-0

SMILES

Clc1ccc2c(Cl)nc(Cl)nc2n1

InChIKey

DNFDLCRLLQVUQK-UHFFFAOYSA-N

InChI

InChI=1S/C7H2Cl3N3/c8-4-2-1-3-5(9)12-7(10)13-6(3)11-4/h1-2H

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Names and synonyms

2 names

2,4,7-Trichloropyrido[2,3-D]pyrimidine
Pyrido[2,3-d]pyrimidine, 2,4,7-trichloro-

Work with 2,4,7-Trichloropyrido(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

2,4-Dichloro-pyrido[2,3-d]pyrimidine126728-20-958 % similar 2,4-Dichloroquinazoline607-68-148 % similar 8-Bromo-2,4-dichloroquinazoline331647-05-344 % similar 2,3,6-Trichloropyridine6515-09-943 % similar 2,4-Dichlorothieno[2,3-d]pyrimidine18740-39-142 % similar 7-Bromo-2,4-dichloroquinazoline959237-68-442 % similar 1,3-Dichloroisoquinoline7742-73-641 % similar 2,6-Dichloro-3-iodopyridine148493-37-241 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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