5-Chloromethyl-2-(pyrazol-1-yl)pyridine

C₉H₈ClN₃CAS 748796-39-6193.63 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₈ClN₃
Molar mass: 193.63 g/mol
Exact mass: 193.0407 Da
logP: 2.01Crippen estimate
Polar surface area: 30.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

748796-39-6

SMILES

C1=CN(N=C1)C2=NC=C(C=C2)CCl

InChIKey

QVDLCABKNWXXQF-UHFFFAOYSA-N

InChI

InChI=1S/C9H8ClN3/c10-6-8-2-3-9(11-7-8)13-5-1-4-12-13/h1-5,7H,6H2

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Names and synonyms

1 names

5-(Chloromethyl)-2-(1H-pyrazol-1-yl)pyridine

Work with 5-Chloromethyl-2-(pyrazol-1-yl)pyridine

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

6-(1H-Pyrazol-1-yl)pyridine-3-carboxylic acid253315-22-948 % similar 2-Chloro-5-(chloromethyl)pyridine70258-18-343 % similar (4-Pyrazol-1-ylphenyl)methanol143426-49-741 % similar 5-(Chloromethyl)-2-(trifluoromethyl)pyridine386715-33-939 % similar 1-Phenylpyrazole1126-00-738 % similar 3-(Chloromethyl)pyridine hydrochloride6959-48-438 % similar Xylylene dichloride623-25-634 % similar 4-(1H-Pyrazol-1-yl)aniline17635-45-934 % similar

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

Same formula

7-Chloro-4-hydrazinylquinoline23834-14-2 3-(4-Chlorophenyl)-1H-pyrazol-5-amine78583-81-0

Elsewhere

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