2-(Pyrimidin-5-yl)benzaldehyde

C11H8N2OCAS 640769-71-7184.20 g/mol

Open in Covalent MOL file
ONN
Aldehyde

Properties

Molecular formula
C11H8N2O
Molar mass
184.20 g/mol
Exact mass
184.0637 Da
logP
1.96Crippen estimate
Polar surface area
42.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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
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

Weigh it out

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

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-Thiophen-2-yl-benzaldehyde99902-07-544 % 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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