(3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-2-pyridinyl)methanone

C16H16BrNO3 — CID 103523114

IUPAC(3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-2-pyridinyl)methanone
SMILESCCc1cccnc1C(=O)c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C16H16BrNO3/c1-4-10-6-5-9-18-14(10)15(19)11-7-8-12(20-2)13(17)16(11)21-3/h5-9H,4H2,1-3H3
InChIKeyVQVNJPKFQYMFGG-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.65
Rot. Bonds5

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

(3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-2-pyridinyl)methanone (PubChem CID 103523114) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is (3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-2-pyridinyl)methanone
PubChem CID103523114
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name(3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-2-pyridinyl)methanone
SMILESCCc1cccnc1C(=O)c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C16H16BrNO3/c1-4-10-6-5-9-18-14(10)15(19)11-7-8-12(20-2)13(17)16(11)21-3/h5-9H,4H2,1-3H3
InChIKeyVQVNJPKFQYMFGG-UHFFFAOYSA-N
XLogP3.65
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-2-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromo-2,4-dimethoxyphenyl)-(2H-triazol-4-yl)methanone
CID 103523100
(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone
CID 107977574
1-(3-bromo-2,4-dimethoxyphenyl)-2-methoxybutan-1-one
CID 103523128
1-(3-bromo-2,4-dimethoxyphenyl)-2-phenoxyethanone
CID 103523048
1-(3-bromo-2,4-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-one
CID 103523139
bis[3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanone
CID 54160091
(2,5-dimethylphenyl)-(3-ethyl-2-pyridinyl)methanone
CID 82730704
(3-bromo-2,4-dimethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 103524389
1-(3-bromo-2,4-dimethoxyphenyl)-2-ethoxy-2-methylbutan-1-one
CID 103523138
1-(3-bromo-2,4-dimethoxyphenyl)-2-methoxy-2-methylbutan-1-one
CID 103523137
2-amino-1-(3-bromo-2,4-dimethoxyphenyl)-2-methylbutan-1-one
CID 103524317
(5-bromo-2-hydroxy-4-methoxyphenyl)-(3-hydroxy-2-pyridinyl)methanone
CID 139764301

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-2-pyridinyl)methanone?
The IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-2-pyridinyl)methanone (CID 103523114) is (3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-2-pyridinyl)methanone.
What is the SMILES notation for (3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-2-pyridinyl)methanone?
The canonical SMILES for (3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-2-pyridinyl)methanone is CCc1cccnc1C(=O)c1ccc(OC)c(Br)c1OC.
What is the InChIKey of (3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-2-pyridinyl)methanone?
The InChIKey is VQVNJPKFQYMFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-4-10-6-5-9-18-14(10)15(19)11-7-8-12(20-2)13(17)16(11)21-3/h5-9H,4H2,1-3H3.
What are the key properties of (3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-2-pyridinyl)methanone?
(3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-2-pyridinyl)methanone has a molecular weight of 350.21 g/mol, XLogP of 3.65, 5 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)-(3-ethyl-2-pyridinyl)methanone is sourced from PubChem (CID 103523114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).