Methyl 4-bromothieno(2,3-c)pyridine-2-carboxylate

C9H6BrNO2SCAS 145325-40-2272.12 g/mol

Open in Covalent MOL file
OONSBr
Aryl halideEster

Properties

Molecular formula
C9H6BrNO2S
Molar mass
272.12 g/mol
Exact mass
270.9303 Da
logP
2.85Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
145325-40-2
SMILES
COC(=O)C1=CC2=C(C=NC=C2S1)Br
InChIKey
REZMNBYKKVGMCD-UHFFFAOYSA-N
InChI
InChI=1S/C9H6BrNO2S/c1-13-9(12)7-2-5-6(10)3-11-4-8(5)14-7/h2-4H,1H3

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Names and synonyms

1 names
  • 4-Bromothieno[2,3-C]pyridine-2-carboxylic acid methyl ester

Work with Methyl 4-bromothieno(2,3-c)pyridine-2-carboxylate

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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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