2-Fluoro-4-methylpyridine
Properties
- Molecular formula
- C6H6FN
- Molar mass
- 111.12 g/mol
- Exact mass
- 111.0484 Da
- Density
- 1.08 g/mL
- Boiling point
- 157 °C
- logP
- 1.53Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor16% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation98% 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, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
461-87-0SMILES
Cc1ccnc(F)c1InChIKey
ZBFAXMKJADVOGH-UHFFFAOYSA-NInChI
InChI=1S/C6H6FN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Pyridine, 2-fluoro-4-methyl-
- 4-Picoline, 2-fluoro-
- 2-Fluoro-4-picoline
Work with 2-Fluoro-4-methylpyridine
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
Similar compounds
4,4′-Dimethyl-2,2′-bipyridine1134-35-656 % similar
2,4-Lutidine108-47-454 % similar
2,4-Difluoropyridine34941-90-754 % similar
4-Bromo-2-fluoropyridine128071-98-750 % similar
4-Amino-2-fluoropyridine18614-51-250 % similar
2-Fluoro-4-iodopyridine22282-70-850 % similar
4-Chloro-2-fluoropyridine34941-92-950 % similar
2-Chloro-4-methylpyridine3678-62-450 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.