(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone

C16H11Br3N2O2 — CID 134535281

IUPAC(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone
SMILESCCc1nc2ccc(Br)cn2c1C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C16H11Br3N2O2/c1-2-12-14(21-7-9(17)3-4-13(21)20-12)15(22)8-5-10(18)16(23)11(19)6-8/h3-7,23H,2H2,1H3
InChIKeyUOQKGNNBKCFJFD-UHFFFAOYSA-N
MW502.99 g/mol
LogP5.12
Rot. Bonds3

About (6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone

(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone (PubChem CID 134535281) has the molecular formula C16H11Br3N2O2 and a molecular weight of 502.99 g/mol. Its IUPAC name is (6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone
PubChem CID134535281
Molecular FormulaC16H11Br3N2O2
Molecular Weight502.99 g/mol
Exact Mass499.84
IUPAC Name(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone
SMILESCCc1nc2ccc(Br)cn2c1C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C16H11Br3N2O2/c1-2-12-14(21-7-9(17)3-4-13(21)20-12)15(22)8-5-10(18)16(23)11(19)6-8/h3-7,23H,2H2,1H3
InChIKeyUOQKGNNBKCFJFD-UHFFFAOYSA-N
XLogP5.12
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.99
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone?
The IUPAC name of (6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone (CID 134535281) is (6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone.
What is the SMILES notation for (6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone?
The canonical SMILES for (6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone is CCc1nc2ccc(Br)cn2c1C(=O)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of (6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone?
The InChIKey is UOQKGNNBKCFJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br3N2O2/c1-2-12-14(21-7-9(17)3-4-13(21)20-12)15(22)8-5-10(18)16(23)11(19)6-8/h3-7,23H,2H2,1H3.
What are the key properties of (6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone?
(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone has a molecular weight of 502.99 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone is sourced from PubChem (CID 134535281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).