(2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone

C15H15NO3 — CID 105122790

IUPAC(2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone
SMILESCOc1cccc(C(=O)c2cncc(C)c2)c1OC
InChIInChI=1S/C15H15NO3/c1-10-7-11(9-16-8-10)14(17)12-5-4-6-13(18-2)15(12)19-3/h4-9H,1-3H3
InChIKeyQWIWLKBUDPIOSJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.64
Rot. Bonds4

About (2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone

(2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone (PubChem CID 105122790) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone
PubChem CID105122790
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone
SMILESCOc1cccc(C(=O)c2cncc(C)c2)c1OC
InChIInChI=1S/C15H15NO3/c1-10-7-11(9-16-8-10)14(17)12-5-4-6-13(18-2)15(12)19-3/h4-9H,1-3H3
InChIKeyQWIWLKBUDPIOSJ-UHFFFAOYSA-N
XLogP2.64
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dimethoxyphenyl)-(3-methylphenyl)methanone
CID 105079255
(3-bromo-2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone
CID 103524405
(2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 105118811
(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone
CID 105076168
(2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 105078663
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
(2-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 115373956
(2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone
CID 115793508
(2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 82685315
1-N'-(2,6-dimethoxyphenyl)-1-N'-[1-(5-methyl-3-pyridinyl)ethenyl]ethene-1,1-diamine
CID 131976942
(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone
CID 69347574
2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone
CID 105135078

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone (CID 105122790) is (2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone is COc1cccc(C(=O)c2cncc(C)c2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone?
The InChIKey is QWIWLKBUDPIOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-7-11(9-16-8-10)14(17)12-5-4-6-13(18-2)15(12)19-3/h4-9H,1-3H3.
What are the key properties of (2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone?
(2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone has a molecular weight of 257.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 105122790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).