(2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone

C15H15NO4 — CID 115793508

IUPAC(2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone
SMILESCOc1cncc(C(=O)c2c(OC)cccc2OC)c1
InChIInChI=1S/C15H15NO4/c1-18-11-7-10(8-16-9-11)15(17)14-12(19-2)5-4-6-13(14)20-3/h4-9H,1-3H3
InChIKeyWQDMKAZMFAHGEQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.34
Rot. Bonds5

About (2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone

(2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone (PubChem CID 115793508) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone
PubChem CID115793508
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name(2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone
SMILESCOc1cncc(C(=O)c2c(OC)cccc2OC)c1
InChIInChI=1S/C15H15NO4/c1-18-11-7-10(8-16-9-11)15(17)14-12(19-2)5-4-6-13(14)20-3/h4-9H,1-3H3
InChIKeyWQDMKAZMFAHGEQ-UHFFFAOYSA-N
XLogP2.34
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-iodophenyl)-(5-methoxy-3-pyridinyl)methanone
CID 115793494
(5-methoxy-3-pyridinyl)-(3-methylsulfonylphenyl)methanone
CID 115793456
(5-methoxy-3-pyridinyl)-quinolin-8-ylmethanone
CID 105124008
(5-methoxy-3-pyridinyl)-(2-methylsulfanylphenyl)methanone
CID 115793452
[5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone
CID 102584961
(3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone
CID 115793411
(5-methoxy-3-pyridinyl)-quinolin-4-ylmethanone
CID 105123960
(2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone
CID 105122790
(4-amino-3-chlorophenyl)-(5-methoxy-3-pyridinyl)methanone
CID 116581855
(4-amino-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone
CID 116609838
(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanone
CID 115793680
2,3-dihydro-1,4-benzodioxin-6-yl-(5-methoxy-3-pyridinyl)methanone
CID 115793344

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone (CID 115793508) is (2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone is COc1cncc(C(=O)c2c(OC)cccc2OC)c1.
What is the InChIKey of (2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone?
The InChIKey is WQDMKAZMFAHGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-18-11-7-10(8-16-9-11)15(17)14-12(19-2)5-4-6-13(14)20-3/h4-9H,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone?
(2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone has a molecular weight of 273.29 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 115793508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).