4-((4-Chloropyrimidin-2-yl)amino)benzonitrile
Properties
- Molecular formula
- C11H7ClN4
- Molar mass
- 230.66 g/mol
- Exact mass
- 230.0359 Da
- logP
- 2.75Crippen estimate
- Polar surface area
- 61.6 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled33.3% of notifiers
- H302 Harmful if swallowed33.3% of notifiers
- H312 Harmful in contact with skin33.3% of notifiers
- H315 Causes skin irritation33.3% of notifiers
- H319 Causes serious eye irritation33.3% of notifiers
- H332 Harmful if inhaled33.3% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
244768-32-9SMILES
N#Cc1ccc(Nc2nccc(Cl)n2)cc1InChIKey
QXCHAADSAYQDHL-UHFFFAOYSA-NInChI
InChI=1S/C11H7ClN4/c12-10-5-6-14-11(16-10)15-9-3-1-8(7-13)2-4-9/h1-6H,(H,14,15,16)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- 4-[(4-Chloro-2-pyrimidinyl)amino]benzonitrile
- Benzonitrile, 4-[(4-chloro-2-pyrimidinyl)amino]-
Work with 4-((4-Chloropyrimidin-2-yl)amino)benzonitrile
Similar compounds
4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile189956-45-465 % similar
Dapivirine244767-67-752 % similar
2-Chloro-4-cyanopyridine33252-30-146 % similar
6-Chloronicotinonitrile33252-28-744 % similar
2,6-Dichloroisonicotinonitrile32710-65-943 % similar
6-Chloro-2-pyridinecarbonitrile33252-29-841 % similar
2-Chloropyrimidine-4-carbonitrile75833-38-440 % similar
N-Phenyl-2-pyrimidinamine57356-49-739 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds