N'-((2-Hydroxynaphthalen-1-yl)methylene)isonicotinohydrazide

C₁₇H₁₃N₃O₂CAS 796-42-9291.31 g/mol

Open in Covalent MOL file

Amide Hydrazone Phenol

Properties

Molecular formula: C₁₇H₁₃N₃O₂
Molar mass: 291.31 g/mol
Exact mass: 291.1008 Da
logP: 2.70Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

796-42-9

SMILES

C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)C3=CC=NC=C3)O

InChIKey

WQSHHAVECQJKLX-YBFXNURJSA-N

InChI

InChI=1S/C17H13N3O2/c21-16-6-5-12-3-1-2-4-14(12)15(16)11-19-20-17(22)13-7-9-18-10-8-13/h1-11,21H,(H,20,22)/b19-11+

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Names and synonyms

1 names

(e)-n'-((2-Hydroxynaphthalen-1-yl)methylene)isonicotinohydrazide

Work with N'-((2-Hydroxynaphthalen-1-yl)methylene)isonicotinohydrazide

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

Salicylaldehyde isonicotinoylhydrazone495-84-165 % similar 2-Hydroxy-1-naphthaldehyde708-06-543 % similar 2-Hydroxy-1-naphthoic acid2283-08-137 % similar PluriSIn 191396-88-237 % similar 1-Nitroso-2-naphthol131-91-936 % similar Isoniazid54-85-335 % similar (+)-BINOL18531-94-735 % similar (-)-Binol18531-99-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Amino-4-(ethylamino)-9,10-dihydro-9,10-dioxo-2-anthracenecarbonitrile62570-50-7

Elsewhere

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