3-(1H-Pyrrol-1-ylmethyl)pyridine

C10H10N2CAS 80866-95-1158.20 g/mol

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Properties

Molecular formula
C10H10N2
Molar mass
158.20 g/mol
Exact mass
158.0844 Da
logP
1.93Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
80866-95-1
SMILES
c1cncc(Cn2cccc2)c1
InChIKey
PJVWPGGKILHMKW-UHFFFAOYSA-N
InChI
InChI=1S/C10H10N2/c1-2-7-12(6-1)9-10-4-3-5-11-8-10/h1-8H,9H2

Weigh it out

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Names and synonyms

2 names
  • Pyridine, 3-(1H-pyrrol-1-ylmethyl)-
  • 3-(Pyrrol-1-ylmethyl)pyridine

Work with 3-(1H-Pyrrol-1-ylmethyl)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

N-Benzylpyrrole2051-97-056 % similar 3-Pyridinemethanol100-55-050 % similar 3-Pyridinemethanamine3731-52-050 % similar 3-Ethylpyridine536-78-750 % similar 3-Benzylpyridine620-95-150 % similar 3-Pyridineethaneamine20173-24-447 % similar 3-Pyridineethanol6293-56-747 % similar N-Methyl-3-pyridinemethanamine20173-04-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Methyl-1-phenyl-1H-pyrazole1128-54-7 8-Aminoquinaldine18978-78-4 2-Naphthylhydrazine2243-57-4 1,5-Diaminonaphthalene2243-62-1 2,3-Dimethylquinoxaline2379-55-7 4-Methyl-2-quinolinamine27063-27-0 3-Methyl-5-phenylpyrazole3347-62-4 1-Benzylimidazole4238-71-5

Elsewhere

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