2-Pyrimidinecarbonitrile

C₅H₃N₃CAS 14080-23-0105.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₃N₃
Molar mass: 105.10 g/mol
Exact mass: 105.0327 Da
Melting point: 24 °C
logP: 0.35Crippen estimate
Polar surface area: 49.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed92.2% of notifiers
H317 May cause an allergic skin reaction92.2% of notifiers

Aggregated from 77 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, P501

Identifiers

CAS number

14080-23-0

SMILES

N#Cc1ncccn1

InChIKey

IIHQNAXFIODVDU-UHFFFAOYSA-N

InChI

InChI=1S/C5H3N3/c6-4-5-7-2-1-3-8-5/h1-3H

Weigh it out

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

Names and synonyms

1 names

2-Cyanopyrimidine

Work with 2-Pyrimidinecarbonitrile

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-Cyanopyridine100-70-950 % similar 5-Fluoro-2-pyrimidinecarbonitrile38275-55-748 % similar 5-Chloropyrimidine-2-carbonitrile38275-56-848 % similar 5-Bromopyrimidine-2-carbonitrile38275-57-948 % similar 5-Aminopyrimidine-2-carbonitrile56621-93-348 % similar 2,3-Dicyanopyrazine13481-25-945 % similar Pyridine-2,3-dicarbonitrile17132-78-444 % similar 3-Bromopyridine-2-carbonitrile55758-02-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pyrazinecarbonitrile19847-12-2 5-Cyanopyrimidine40805-79-6 Pyridazine-3-carbonitrile53896-49-4 4-Pyridazinecarbonitrile68776-62-5

Elsewhere

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