5-Chloro-2,3-diphenylpyrazine

C₁₆H₁₁ClN₂CAS 41270-66-0266.73 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₁₆H₁₁ClN₂
Molar mass: 266.73 g/mol
Exact mass: 266.0611 Da
logP: 4.46Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H314 Causes severe skin burns and eye damage25% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% of notifiers
H360 May damage fertility or the unborn child50% of notifiers

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

Precautionary statements

P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

41270-66-0

SMILES

C1=CC=C(C=C1)C2=NC=C(N=C2C3=CC=CC=C3)Cl

InChIKey

VUGNCPVAXWZTOL-UHFFFAOYSA-N

InChI

InChI=1S/C16H11ClN2/c17-14-11-18-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-11H

Weigh it out

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

Work with 5-Chloro-2,3-diphenylpyrazine

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

5-Bromo-2,3-diphenylpyrazine243472-70-055 % similar 2-Chloroquinoxaline1448-87-950 % similar 2,3-Diphenylquinoxaline1684-14-646 % similar 4-Chloro-2-phenylpyrimidine14790-42-245 % similar Fenclorim3740-92-945 % similar 2-Chloro-3-phenylquinoxaline7065-92-142 % similar 2,4-Dichloro-6-phenylpyrimidine26032-72-441 % similar 2-Chloro-4-phenylquinazoline29874-83-740 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-4,6-diphenylpyrimidine2915-16-4 4-Chloro-2,6-diphenylpyrimidine29509-91-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook