Pyridine-D5
Properties
- Molecular formula
- C5D5N
- Molar mass
- 84.13 g/mol
- Exact mass
- 84.0736 Da
- Density
- 1.05 g/mL (at 25 °C)
- Boiling point
- 114.4 °C
- logP
- 1.08Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled76% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation76% of notifiers
- H319 Causes serious eye irritation76% of notifiers
- H332 Harmful if inhaled98% of notifiers
Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501
Identifiers
CAS number
7291-22-7SMILES
[2H]c1nc([2H])c([2H])c([2H])c1[2H]InChIKey
JUJWROOIHBZHMG-RALIUCGRSA-NInChI
InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H/i1D,2D,3D,4D,5DWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Pyridine-2,3,4,5,6-d5
- Pentadeuteropyridine
- Perdeuteriopyridine
- 2,3,4,5,6-Pentadeuteriopyridine
Work with Pyridine-D5
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Pyridine110-86-1Unlabelled
Pyridinium chlorochromate26299-14-9Salt, unlabelled
Pyridinium p-toluenesulfonate24057-28-1Salt, unlabelled
Sulfur trioxide pyridine complex26412-87-3Salt, unlabelled
Pyridinium chloride628-13-7Salt, unlabelled
Poly(pyridine fluoride)62778-11-4Salt, unlabelled
Pyridinium hydrobromide18820-82-1Salt, unlabelled
Pyridinium trifluoroacetate464-05-1Salt, unlabelled
Hydrofluoric acid pyridine complex32001-55-1Salt, unlabelled
Pyridine methanesulfonate39879-60-2Salt, unlabelled
Pyridinium fluorochromate83042-08-4Salt, unlabelled
Bis(pyridine)iodonium tetrafluoroborate15656-28-7Salt, unlabelled
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue.