3-(6-benzyl-2-pyridinyl)propanal;3-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]propanal;3-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]propanal;3-[6-(4-methoxyphenyl)-2-pyridinyl]propanal;3-(6-morpholin-4-yl-2-pyridinyl)propanal;3-(6-morpholin-4-yl-3-pyridinyl)propanal;3-(6-phenyl-2-pyridinyl)propanal;3-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propanal;3-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propanal

C130H134F6N12O15 — CID 158893750

IUPAC3-(6-benzyl-2-pyridinyl)propanal;3-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]propanal;3-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]propanal;3-[6-(4-methoxyphenyl)-2-pyridinyl]propanal;3-(6-morpholin-4-yl-2-pyridinyl)propanal;3-(6-morpholin-4-yl-3-pyridinyl)propanal;3-(6-phenyl-2-pyridinyl)propanal;3-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propanal;3-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propanal
SMILESCN(C)c1ccc(-c2cccc(CCC=O)n2)cc1.COc1ccc(-c2cccc(CCC=O)n2)cc1.COc1ccc(-c2cccc(CCC=O)n2)cc1OC.O=CCCc1ccc(N2CCOCC2)nc1.O=CCCc1cccc(-c2ccc(C(F)(F)F)cc2)n1.O=CCCc1cccc(-c2ccc(OC(F)(F)F)cc2)n1.O=CCCc1cccc(-c2ccccc2)n1.O=CCCc1cccc(Cc2ccccc2)n1.O=CCCc1cccc(N2CCOCC2)n1
InChIInChI=1S/C16H18N2O.C16H17NO3.C15H12F3NO2.C15H12F3NO.C15H15NO2.C15H15NO.C14H13NO.2C12H16N2O2/c1-18(2)15-10-8-13(9-11-15)16-7-3-5-14(17-16)6-4-12-19;1-19-15-9-8-12(11-16(15)20-2)14-7-3-5-13(17-14)6-4-10-18;16-15(17,18)21-13-8-6-11(7-9-13)14-5-1-3-12(19-14)4-2-10-20;16-15(17,18)12-8-6-11(7-9-12)14-5-1-3-13(19-14)4-2-10-20;1-18-14-9-7-12(8-10-14)15-6-2-4-13(16-15)5-3-11-17;17-11-5-10-14-8-4-9-15(16-14)12-13-6-2-1-3-7-13;16-11-5-9-13-8-4-10-14(15-13)12-6-2-1-3-7-12;15-8-2-4-11-3-1-5-12(13-11)14-6-9-16-10-7-14;15-7-1-2-11-3-4-12(13-10-11)14-5-8-16-9-6-14/h3,5,7-12H,4,6H2,1-2H3;3,5,7-11H,4,6H2,1-2H3;1,3,5-10H,2,4H2;1,3,5-10H,2,4H2;2,4,6-11H,3,5H2,1H3;1-4,6-9,11H,5,10,12H2;1-4,6-8,10-11H,5,9H2;1,3,5,8H,2,4,6-7,9-10H2;3-4,7,10H,1-2,5-6,8-9H2
InChIKeyJEOLPVKWZPIJKS-UHFFFAOYSA-N
MW2218.56 g/mol
LogP24.19
Rot. Bonds42

About 3-(6-benzyl-2-pyridinyl)propanal;3-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]propanal;3-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]propanal;3-[6-(4-methoxyphenyl)-2-pyridinyl]propanal;3-(6-morpholin-4-yl-2-pyridinyl)propanal;3-(6-morpholin-4-yl-3-pyridinyl)propanal;3-(6-phenyl-2-pyridinyl)propanal;3-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propanal;3-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propanal

3-(6-benzyl-2-pyridinyl)propanal;3-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]propanal;3-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]propanal;3-[6-(4-methoxyphenyl)-2-pyridinyl]propanal;3-(6-morpholin-4-yl-2-pyridinyl)propanal;3-(6-morpholin-4-yl-3-pyridinyl)propanal;3-(6-phenyl-2-pyridinyl)propanal;3-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propanal;3-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propanal (PubChem CID 158893750) has the molecular formula C130H134F6N12O15 and a molecular weight of 2218.56 g/mol. Its IUPAC name is 3-(6-benzyl-2-pyridinyl)propanal;3-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]propanal;3-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]propanal;3-[6-(4-methoxyphenyl)-2-pyridinyl]propanal;3-(6-morpholin-4-yl-2-pyridinyl)propanal;3-(6-morpholin-4-yl-3-pyridinyl)propanal;3-(6-phenyl-2-pyridinyl)propanal;3-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propanal;3-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propanal.

Molecular Properties

Compound Name3-(6-benzyl-2-pyridinyl)propanal;3-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]propanal;3-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]propanal;3-[6-(4-methoxyphenyl)-2-pyridinyl]propanal;3-(6-morpholin-4-yl-2-pyridinyl)propanal;3-(6-morpholin-4-yl-3-pyridinyl)propanal;3-(6-phenyl-2-pyridinyl)propanal;3-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propanal;3-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propanal
PubChem CID158893750
Molecular FormulaC130H134F6N12O15
Molecular Weight2218.56 g/mol
Exact Mass2217.00
IUPAC Name3-(6-benzyl-2-pyridinyl)propanal;3-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]propanal;3-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]propanal;3-[6-(4-methoxyphenyl)-2-pyridinyl]propanal;3-(6-morpholin-4-yl-2-pyridinyl)propanal;3-(6-morpholin-4-yl-3-pyridinyl)propanal;3-(6-phenyl-2-pyridinyl)propanal;3-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propanal;3-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propanal
SMILESCN(C)c1ccc(-c2cccc(CCC=O)n2)cc1.COc1ccc(-c2cccc(CCC=O)n2)cc1.COc1ccc(-c2cccc(CCC=O)n2)cc1OC.O=CCCc1ccc(N2CCOCC2)nc1.O=CCCc1cccc(-c2ccc(C(F)(F)F)cc2)n1.O=CCCc1cccc(-c2ccc(OC(F)(F)F)cc2)n1.O=CCCc1cccc(-c2ccccc2)n1.O=CCCc1cccc(Cc2ccccc2)n1.O=CCCc1cccc(N2CCOCC2)n1
InChIInChI=1S/C16H18N2O.C16H17NO3.C15H12F3NO2.C15H12F3NO.C15H15NO2.C15H15NO.C14H13NO.2C12H16N2O2/c1-18(2)15-10-8-13(9-11-15)16-7-3-5-14(17-16)6-4-12-19;1-19-15-9-8-12(11-16(15)20-2)14-7-3-5-13(17-14)6-4-10-18;16-15(17,18)21-13-8-6-11(7-9-13)14-5-1-3-12(19-14)4-2-10-20;16-15(17,18)12-8-6-11(7-9-12)14-5-1-3-13(19-14)4-2-10-20;1-18-14-9-7-12(8-10-14)15-6-2-4-13(16-15)5-3-11-17;17-11-5-10-14-8-4-9-15(16-14)12-13-6-2-1-3-7-13;16-11-5-9-13-8-4-10-14(15-13)12-6-2-1-3-7-12;15-8-2-4-11-3-1-5-12(13-11)14-6-9-16-10-7-14;15-7-1-2-11-3-4-12(13-10-11)14-5-8-16-9-6-14/h3,5,7-12H,4,6H2,1-2H3;3,5,7-11H,4,6H2,1-2H3;1,3,5-10H,2,4H2;1,3,5-10H,2,4H2;2,4,6-11H,3,5H2,1H3;1-4,6-9,11H,5,10,12H2;1-4,6-8,10-11H,5,9H2;1,3,5,8H,2,4,6-7,9-10H2;3-4,7,10H,1-2,5-6,8-9H2
InChIKeyJEOLPVKWZPIJKS-UHFFFAOYSA-N
XLogP24.19
TPSA334.74 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds42
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002218.56
LogP ≤ 524.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-(6-benzyl-2-pyridinyl)propanal;3-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]propanal;3-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]propanal;3-[6-(4-methoxyphenyl)-2-pyridinyl]propanal;3-(6-morpholin-4-yl-2-pyridinyl)propanal;3-(6-morpholin-4-yl-3-pyridinyl)propanal;3-(6-phenyl-2-pyridinyl)propanal;3-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propanal;3-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propanal with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(6-benzyl-2-pyridinyl)propanal;3-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]propanal;3-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]propanal;3-[6-(4-methoxyphenyl)-2-pyridinyl]propanal;3-(6-morpholin-4-yl-2-pyridinyl)propanal;3-(6-morpholin-4-yl-3-pyridinyl)propanal;3-(6-phenyl-2-pyridinyl)propanal;3-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propanal;3-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propanal?
The IUPAC name of 3-(6-benzyl-2-pyridinyl)propanal;3-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]propanal;3-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]propanal;3-[6-(4-methoxyphenyl)-2-pyridinyl]propanal;3-(6-morpholin-4-yl-2-pyridinyl)propanal;3-(6-morpholin-4-yl-3-pyridinyl)propanal;3-(6-phenyl-2-pyridinyl)propanal;3-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propanal;3-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propanal (CID 158893750) is 3-(6-benzyl-2-pyridinyl)propanal;3-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]propanal;3-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]propanal;3-[6-(4-methoxyphenyl)-2-pyridinyl]propanal;3-(6-morpholin-4-yl-2-pyridinyl)propanal;3-(6-morpholin-4-yl-3-pyridinyl)propanal;3-(6-phenyl-2-pyridinyl)propanal;3-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propanal;3-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propanal.
What is the SMILES notation for 3-(6-benzyl-2-pyridinyl)propanal;3-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]propanal;3-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]propanal;3-[6-(4-methoxyphenyl)-2-pyridinyl]propanal;3-(6-morpholin-4-yl-2-pyridinyl)propanal;3-(6-morpholin-4-yl-3-pyridinyl)propanal;3-(6-phenyl-2-pyridinyl)propanal;3-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propanal;3-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propanal?
The canonical SMILES for 3-(6-benzyl-2-pyridinyl)propanal;3-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]propanal;3-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]propanal;3-[6-(4-methoxyphenyl)-2-pyridinyl]propanal;3-(6-morpholin-4-yl-2-pyridinyl)propanal;3-(6-morpholin-4-yl-3-pyridinyl)propanal;3-(6-phenyl-2-pyridinyl)propanal;3-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propanal;3-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propanal is CN(C)c1ccc(-c2cccc(CCC=O)n2)cc1.COc1ccc(-c2cccc(CCC=O)n2)cc1.COc1ccc(-c2cccc(CCC=O)n2)cc1OC.O=CCCc1ccc(N2CCOCC2)nc1.O=CCCc1cccc(-c2ccc(C(F)(F)F)cc2)n1.O=CCCc1cccc(-c2ccc(OC(F)(F)F)cc2)n1.O=CCCc1cccc(-c2ccccc2)n1.O=CCCc1cccc(Cc2ccccc2)n1.O=CCCc1cccc(N2CCOCC2)n1.
What is the InChIKey of 3-(6-benzyl-2-pyridinyl)propanal;3-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]propanal;3-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]propanal;3-[6-(4-methoxyphenyl)-2-pyridinyl]propanal;3-(6-morpholin-4-yl-2-pyridinyl)propanal;3-(6-morpholin-4-yl-3-pyridinyl)propanal;3-(6-phenyl-2-pyridinyl)propanal;3-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propanal;3-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propanal?
The InChIKey is JEOLPVKWZPIJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.C16H17NO3.C15H12F3NO2.C15H12F3NO.C15H15NO2.C15H15NO.C14H13NO.2C12H16N2O2/c1-18(2)15-10-8-13(9-11-15)16-7-3-5-14(17-16)6-4-12-19;1-19-15-9-8-12(11-16(15)20-2)14-7-3-5-13(17-14)6-4-10-18;16-15(17,18)21-13-8-6-11(7-9-13)14-5-1-3-12(19-14)4-2-10-20;16-15(17,18)12-8-6-11(7-9-12)14-5-1-3-13(19-14)4-2-10-20;1-18-14-9-7-12(8-10-14)15-6-2-4-13(16-15)5-3-11-17;17-11-5-10-14-8-4-9-15(16-14)12-13-6-2-1-3-7-13;16-11-5-9-13-8-4-10-14(15-13)12-6-2-1-3-7-12;15-8-2-4-11-3-1-5-12(13-11)14-6-9-16-10-7-14;15-7-1-2-11-3-4-12(13-10-11)14-5-8-16-9-6-14/h3,5,7-12H,4,6H2,1-2H3;3,5,7-11H,4,6H2,1-2H3;1,3,5-10H,2,4H2;1,3,5-10H,2,4H2;2,4,6-11H,3,5H2,1H3;1-4,6-9,11H,5,10,12H2;1-4,6-8,10-11H,5,9H2;1,3,5,8H,2,4,6-7,9-10H2;3-4,7,10H,1-2,5-6,8-9H2.
What are the key properties of 3-(6-benzyl-2-pyridinyl)propanal;3-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]propanal;3-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]propanal;3-[6-(4-methoxyphenyl)-2-pyridinyl]propanal;3-(6-morpholin-4-yl-2-pyridinyl)propanal;3-(6-morpholin-4-yl-3-pyridinyl)propanal;3-(6-phenyl-2-pyridinyl)propanal;3-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propanal;3-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propanal?
3-(6-benzyl-2-pyridinyl)propanal;3-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]propanal;3-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]propanal;3-[6-(4-methoxyphenyl)-2-pyridinyl]propanal;3-(6-morpholin-4-yl-2-pyridinyl)propanal;3-(6-morpholin-4-yl-3-pyridinyl)propanal;3-(6-phenyl-2-pyridinyl)propanal;3-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propanal;3-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propanal has a molecular weight of 2218.56 g/mol, XLogP of 24.19, 42 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-benzyl-2-pyridinyl)propanal;3-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]propanal;3-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]propanal;3-[6-(4-methoxyphenyl)-2-pyridinyl]propanal;3-(6-morpholin-4-yl-2-pyridinyl)propanal;3-(6-morpholin-4-yl-3-pyridinyl)propanal;3-(6-phenyl-2-pyridinyl)propanal;3-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propanal;3-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propanal is sourced from PubChem (CID 158893750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).