3-Bromo-2,6-dimethylpyridine

C7H8BrNCAS 3430-31-7186.05 g/mol

Open in Covalent MOL file
NBr
Aryl halide

Properties

Molecular formula
C7H8BrN
Molar mass
186.05 g/mol
Exact mass
184.9840 Da
logP
2.46Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3430-31-7
SMILES
CC1=NC(=C(C=C1)Br)C
InChIKey
TUJVGHCSNXCAFE-UHFFFAOYSA-N
InChI
InChI=1S/C7H8BrN/c1-5-3-4-7(8)6(2)9-5/h3-4H,1-2H3

Weigh it out

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

Work with 3-Bromo-2,6-dimethylpyridine

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

2,3-Dibromo-6-methylpyridine261373-04-062 % similar 3,6-Dibromo-2-methylpyridine39919-65-862 % similar 2-Amino-3-bromo-6-methylpyridine126325-46-057 % similar 3-Bromo-6-chloro-2-methylpyridine132606-40-757 % similar 3-Bromo-2-chloro-6-picoline185017-72-557 % similar 3-Bromo-2-fluoro-6-picoline375368-78-857 % similar 3-Bromo-6-fluoro-2-methylpyridine375368-83-557 % similar 2,3,6-Trimethylpyridine1462-84-654 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromobenzylamine10269-01-9 4-Bromo-2,3-dimethylpyridine259807-91-5 5-Bromo-2,3-dimethylpyridine27063-90-7 3-Bromo-2,4-dimethylpyridine27063-93-0 5-Bromo-o-toluidine39478-78-9 2-Bromobenzylamine3959-05-5 4-Bromobenzenemethanamine3959-07-7 2-Bromo-4,6-dimethylpyridine4926-26-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook