2-(Pyrimidin-5-yl)benzaldehyde

C₁₁H₈N₂OCAS 640769-71-7184.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₈N₂O
Molar mass: 184.20 g/mol
Exact mass: 184.0637 Da
logP: 1.96Crippen estimate
Polar surface area: 42.9 Å²
H-bond donors / acceptors: 0 / 3
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

640769-71-7

SMILES

C1=CC=C(C(=C1)C=O)C2=CN=CN=C2

InChIKey

JPSJBEALHNYNBL-UHFFFAOYSA-N

InChI

InChI=1S/C11H8N2O/c14-7-9-3-1-2-4-11(9)10-5-12-8-13-6-10/h1-8H

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Names and synonyms

1 names

2-(5-Pyrimidinyl)benzaldehyde

Work with 2-(Pyrimidin-5-yl)benzaldehyde

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-(4-Pyridinyl)benzaldehyde176526-00-465 % similar [1,1′-Biphenyl]-2-carboxaldehyde1203-68-562 % similar (1,1'-Biphenyl)-2,2'-dicarboxaldehyde1210-05-559 % similar 2-(4-Fluorophenyl)benzaldehyde192863-46-053 % similar 2-[4-(Trifluoromethyl)phenyl]benzaldehyde84392-23-449 % similar Phthalaldehyde643-79-848 % similar 2′-Fluoro[1,1′-biphenyl]-2-carboxaldehyde223575-95-947 % similar 2-Methylbenzaldehyde529-20-444 % similar

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

Same formula

2-Amino-5-phenyl-3-furonitrile14742-32-6 2-Pyridyl ketone19437-26-4 4-(Pyrimidin-5-yl)benzaldehyde198084-12-7 Fuberidazole3878-19-1

Elsewhere

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