6-Bromo-5,7-difluoroquinoline

C₉H₄BrF₂NCAS 1022091-49-1244.04 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₄BrF₂N
Molar mass: 244.04 g/mol
Exact mass: 242.9495 Da
logP: 3.28Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% 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

1022091-49-1

SMILES

C1=CC2=C(C(=C(C=C2N=C1)F)Br)F

InChIKey

DUAWZZRBLJDTQC-UHFFFAOYSA-N

InChI

InChI=1S/C9H4BrF2N/c10-8-6(11)4-7-5(9(8)12)2-1-3-13-7/h1-4H

Weigh it out

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

Names and synonyms

1 names

5,7-Difluoro-6-bromoquinoline

Work with 6-Bromo-5,7-difluoroquinoline

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

8-Bromo-5-fluoroquinoline917251-99-143 % similar 2-Bromo-3-fluoropyridine40273-45-842 % similar 2-Bromo-1,3,4-trifluorobenzene176793-04-741 % similar 5-Bromoquinoline4964-71-041 % similar 3-Bromo-1,2,4,5-tetrafluorobenzene1559-88-238 % similar 5-Chloroquinoline635-27-837 % similar 2,3-Difluoropyridine1513-66-236 % similar 5,7-Dichloro-1,6-naphthyridine337958-60-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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