3-Bromo-5-phenylpyridine

C₁₁H₈BrNCAS 142137-17-5234.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₈BrN
Molar mass: 234.10 g/mol
Exact mass: 232.9840 Da
logP: 3.51Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

142137-17-5

SMILES

C1=CC=C(C=C1)C2=CC(=CN=C2)Br

InChIKey

AWCQJXPOCRXHNK-UHFFFAOYSA-N

InChI

InChI=1S/C11H8BrN/c12-11-6-10(7-13-8-11)9-4-2-1-3-5-9/h1-8H

Weigh it out

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

Work with 3-Bromo-5-phenylpyridine

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

1-Bromo-3,5-diphenylbenzene103068-20-858 % similar 3,5-Dibromobiphenyl16372-96-658 % similar 3-Bromobiphenyl2113-57-756 % similar 3,5-Dibromopyridine625-92-354 % similar 1-Bromo-3-(4-phenylphenyl)benzene1762-87-454 % similar 4-Bromo-5′-phenyl-1,1′:3′,1′′-terphenyl116941-52-750 % similar 4-Bromo-P-terphenyl1762-84-150 % similar 4-Bromobiphenyl92-66-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(2-Bromophenyl)pyridine109306-86-7 3-(4-Bromophenyl)pyridine129013-83-8 5-Bromo-2-phenylpyridine27012-25-5 2-Bromo-6-phenylpyridine39774-26-0 4-(4-Bromophenyl)pyridine39795-60-3 2-(3-Bromophenyl)pyridine4373-60-8 2-(4-Bromophenyl)pyriding63996-36-1 3-Bromo-2-phenylpyridine91182-50-2

Elsewhere

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