chempirical

6-Bromo-4-methoxypyrazolo[1,5-A]pyridine-3-carbonitrile

C9H6BrN3OCAS 1207836-10-9252.07 g/mol

Open in Covalent MOL file
ONNNBr
Aryl halideEtherNitrile

Properties

Molecular formula
C9H6BrN3O
Molar mass
252.07 g/mol
Exact mass
250.9694 Da
logP
1.98Crippen estimate
Polar surface area
50.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
1207836-10-9
SMILES
COC1=CC(=CN2C1=C(C=N2)C#N)Br
InChIKey
JTEWRYBKHXGXHP-UHFFFAOYSA-N
InChI
InChI=1S/C9H6BrN3O/c1-14-8-2-7(10)5-13-9(8)6(3-11)4-12-13/h2,4-5H,1H3

Weigh it out

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

Work with 6-Bromo-4-methoxypyrazolo[1,5-A]pyridine-3-carbonitrile

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

5-Bromo-2-methoxybenzonitrile144649-99-048 % similar 2-Amino-4,5-dimethoxybenzonitrile26961-27-338 % similar 2-Methoxybenzonitrile6609-56-937 % similar 5-Bromo-3-methoxy-2-methylpyridine1150617-80-337 % similar 4,5-Difluoro-2-methoxybenzonitrile425702-28-937 % similar 2,5-Dimethoxybenzonitrile5312-97-037 % similar 1-Bromo-3,4,5-trimethoxybenzene2675-79-836 % similar 4-Bromo-2-methoxybenzenamine59557-91-436 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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