(3-bromo-2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone

C15H14BrNO3 — CID 103524405

IUPAC(3-bromo-2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)c2cncc(C)c2)c(OC)c1Br
InChIInChI=1S/C15H14BrNO3/c1-9-6-10(8-17-7-9)14(18)11-4-5-12(19-2)13(16)15(11)20-3/h4-8H,1-3H3
InChIKeyDMXALVTXPMPGAQ-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.40
Rot. Bonds4

About (3-bromo-2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone

(3-bromo-2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone (PubChem CID 103524405) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is (3-bromo-2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-bromo-2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone
PubChem CID103524405
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name(3-bromo-2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)c2cncc(C)c2)c(OC)c1Br
InChIInChI=1S/C15H14BrNO3/c1-9-6-10(8-17-7-9)14(18)11-4-5-12(19-2)13(16)15(11)20-3/h4-8H,1-3H3
InChIKeyDMXALVTXPMPGAQ-UHFFFAOYSA-N
XLogP3.40
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone
CID 105122790
(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone
CID 107977574
(3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 103524383
(3-bromo-2,4-dimethoxyphenyl)-(2H-triazol-4-yl)methanone
CID 103523100
(3-bromo-2,4-dimethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 103524389
(2-bromo-3,4-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methanone
CID 129012233
2-(2-methoxy-5-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 105085291
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-3-pyridinyl)methanone
CID 43338956
(2-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 115373956
2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one
CID 84814233
(3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-2-pyridinyl)methanone
CID 103523114
(2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 82685315

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone (CID 103524405) is (3-bromo-2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (3-bromo-2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for (3-bromo-2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone is COc1ccc(C(=O)c2cncc(C)c2)c(OC)c1Br.
What is the InChIKey of (3-bromo-2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone?
The InChIKey is DMXALVTXPMPGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-9-6-10(8-17-7-9)14(18)11-4-5-12(19-2)13(16)15(11)20-3/h4-8H,1-3H3.
What are the key properties of (3-bromo-2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone?
(3-bromo-2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone has a molecular weight of 336.19 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 103524405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).