3-[(2,5-dibromophenyl)methoxy]-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one

C16H17Br2NO3 — CID 166335641

IUPAC3-[(2,5-dibromophenyl)methoxy]-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one
SMILESCCc1c(OCc2cc(Br)ccc2Br)c(=O)ccn1CCO
InChIInChI=1S/C16H17Br2NO3/c1-2-14-16(15(21)5-6-19(14)7-8-20)22-10-11-9-12(17)3-4-13(11)18/h3-6,9,20H,2,7-8,10H2,1H3
InChIKeyVHCJTXWWXMIRLG-UHFFFAOYSA-N
MW431.12 g/mol
LogP3.51
Rot. Bonds6

About 3-[(2,5-dibromophenyl)methoxy]-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one

3-[(2,5-dibromophenyl)methoxy]-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one (PubChem CID 166335641) has the molecular formula C16H17Br2NO3 and a molecular weight of 431.12 g/mol. Its IUPAC name is 3-[(2,5-dibromophenyl)methoxy]-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one.

Molecular Properties

Compound Name3-[(2,5-dibromophenyl)methoxy]-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one
PubChem CID166335641
Molecular FormulaC16H17Br2NO3
Molecular Weight431.12 g/mol
Exact Mass428.96
IUPAC Name3-[(2,5-dibromophenyl)methoxy]-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one
SMILESCCc1c(OCc2cc(Br)ccc2Br)c(=O)ccn1CCO
InChIInChI=1S/C16H17Br2NO3/c1-2-14-16(15(21)5-6-19(14)7-8-20)22-10-11-9-12(17)3-4-13(11)18/h3-6,9,20H,2,7-8,10H2,1H3
InChIKeyVHCJTXWWXMIRLG-UHFFFAOYSA-N
XLogP3.51
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.12
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butoxy-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one
CID 90068928
2-ethyl-1-(2-fluoroethyl)-3-phenylmethoxypyridin-4-one
CID 118407952
2-(6-bromo-3-ethylindol-1-yl)ethanol
CID 83946660
7-bromo-2-(2-hydroxyethyl)isoquinolin-1-one
CID 59238202
3-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]propanoic acid
CID 10243320
2-[bis[1-(hydroxyamino)-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]-1-oxopropan-2-yl]amino]-N-hydroxy-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propanamide
CID 87525030
2-ethyl-1-(2-fluoroethyl)-3-hydroxypyridin-4-one
CID 118534403
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 100740902
6-(4-bromo-3-ethylphenoxy)hexan-1-ol
CID 166107935
3-(7-bromo-4-oxoquinolin-1-yl)propanehydrazide
CID 53264328
2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide
CID 100736017
6-bromo-1-methylquinolin-4-one
CID 1377385

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dibromophenyl)methoxy]-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one?
The IUPAC name of 3-[(2,5-dibromophenyl)methoxy]-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one (CID 166335641) is 3-[(2,5-dibromophenyl)methoxy]-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one.
What is the SMILES notation for 3-[(2,5-dibromophenyl)methoxy]-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one?
The canonical SMILES for 3-[(2,5-dibromophenyl)methoxy]-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one is CCc1c(OCc2cc(Br)ccc2Br)c(=O)ccn1CCO.
What is the InChIKey of 3-[(2,5-dibromophenyl)methoxy]-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one?
The InChIKey is VHCJTXWWXMIRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO3/c1-2-14-16(15(21)5-6-19(14)7-8-20)22-10-11-9-12(17)3-4-13(11)18/h3-6,9,20H,2,7-8,10H2,1H3.
What are the key properties of 3-[(2,5-dibromophenyl)methoxy]-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one?
3-[(2,5-dibromophenyl)methoxy]-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one has a molecular weight of 431.12 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dibromophenyl)methoxy]-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one is sourced from PubChem (CID 166335641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).