2-Methoxy-5-pyridinecarbonitrile

C₇H₆N₂OCAS 15871-85-9134.14 g/mol

Open in Covalent MOL file

Ether Nitrile

Properties

Molecular formula: C₇H₆N₂O
Molar mass: 134.14 g/mol
Exact mass: 134.0480 Da
logP: 0.96Crippen estimate
Polar surface area: 45.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed97.6% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction97.6% of notifiers
H318 Causes serious eye damage97.6% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

15871-85-9

SMILES

COC1=NC=C(C=C1)C#N

InChIKey

DFPYAQAFVHRSAG-UHFFFAOYSA-N

InChI

InChI=1S/C7H6N2O/c1-10-7-3-2-6(4-8)5-9-7/h2-3,5H,1H3

Weigh it out

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

Names and synonyms

1 names

2-Methoxypyridine-5-carbonitrile

Work with 2-Methoxy-5-pyridinecarbonitrile

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

[2,2′-Bipyridine]-5,5′-dicarbonitrile1802-29-553 % similar 5-Cyano-2-methylpyridine3222-48-853 % similar 2,5-Dimethoxy pyridine867267-24-152 % similar 4-Methoxybenzonitrile874-90-852 % similar 2-Methoxy-5-picoline13472-56-550 % similar (6-Methoxypyridin-3-yl)methanol58584-63-749 % similar 5-Bromo-2-methoxypyridine13472-85-048 % similar 5-Chloro-2-methoxypyridine13473-01-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1H-Pyrrolo[3,2-c]pyridin-2(3H)-one134682-54-5 1H-Indazol-5-ol15579-15-4 1,3-Benzoxazol-6-amine177492-52-3 5-Hydroxy-3-methylpyridine-2-carbonitrile228867-86-5 1H-Indazol-6-ol23244-88-4 1,3-Dihydro-2H-pyrrolo[3,2-b]pyridin-2-one32501-05-6 3-Amino-1,2-benzisoxazole36216-80-5 1,2-Dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile4241-27-4

Elsewhere

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