2-(Bromomethyl)quinoline

C₁₀H₈BrNCAS 5632-15-5222.08 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₈BrN
Molar mass: 222.08 g/mol
Exact mass: 220.9840 Da
logP: 3.13Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed97.6% of notifiers
H318 Causes serious eye damage95.1% of notifiers

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

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number

5632-15-5

SMILES

C1=CC=C2C(=C1)C=CC(=N2)CBr

InChIKey

NNAYPIDFVQLEDK-UHFFFAOYSA-N

InChI

InChI=1S/C10H8BrN/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H,7H2

Weigh it out

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

Names and synonyms

1 names

2-Bromomethylquinoline

Work with 2-(Bromomethyl)quinoline

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-Quinolinemethanol1780-17-266 % similar 2-(Quinolin-2-yl)ethanol1011-50-358 % similar 2-(Chloromethyl)quinoline hydrochloride3747-74-855 % similar 2-Isobutylquinoline93-19-655 % similar 2,6-Bis(bromomethyl)pyridine7703-74-452 % similar 2,2′-Biquinoline119-91-550 % similar 2-Bromoquinoline2005-43-850 % similar 2-(Tribromomethyl)quinoline613-53-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(3-Bromophenyl)-1H-pyrrole107302-22-7 1-(4-Bromophenyl)cyclopropanecarbonitrile124276-67-1 1-Bromonaphthalen-2-amine20191-75-7 1-Amino-4-bromonaphthalene2298-07-9 6-Bromo-4-methylquinoline41037-28-9 5-Bromonaphthalen-1-amine4766-33-0 8-Bromo-2-methyl-quinoline61047-43-6 8-Bromo-1-naphthalenamine62456-34-2

Elsewhere

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