(3-bromo-5-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone

C16H11BrClFN2O2 — CID 126687578

IUPAC(3-bromo-5-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCCc1nc2ccc(F)cn2c1C(=O)c1cc(Cl)c(O)c(Br)c1
InChIInChI=1S/C16H11BrClFN2O2/c1-2-12-14(21-7-9(19)3-4-13(21)20-12)15(22)8-5-10(17)16(23)11(18)6-8/h3-7,23H,2H2,1H3
InChIKeyCJIZNCQOWZYHJN-UHFFFAOYSA-N
MW397.63 g/mol
LogP4.39
Rot. Bonds3

About (3-bromo-5-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone

(3-bromo-5-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone (PubChem CID 126687578) has the molecular formula C16H11BrClFN2O2 and a molecular weight of 397.63 g/mol. Its IUPAC name is (3-bromo-5-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
PubChem CID126687578
Molecular FormulaC16H11BrClFN2O2
Molecular Weight397.63 g/mol
Exact Mass395.97
IUPAC Name(3-bromo-5-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCCc1nc2ccc(F)cn2c1C(=O)c1cc(Cl)c(O)c(Br)c1
InChIInChI=1S/C16H11BrClFN2O2/c1-2-12-14(21-7-9(19)3-4-13(21)20-12)15(22)8-5-10(17)16(23)11(18)6-8/h3-7,23H,2H2,1H3
InChIKeyCJIZNCQOWZYHJN-UHFFFAOYSA-N
XLogP4.39
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.63
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-bromo-5-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone with MolForge

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Related Compounds

Aminoimidazo[1,2-a]pyridine deriv. 21
CID 5330639
Lingdolinurad
CID 126687506
Xininurad
CID 139329673
(2-Ethylimidazo[1,2-a]pyridin-3-yl)-(4-hydroxyphenyl)methanone
CID 455752
(3-Chloro-4-methoxyphenyl)(imidazo[1,2-a]pyridin-3-yl)methanone
CID 7150868
(3,5-Dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 126687480
(3-Bromo-5-fluoro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
CID 126687501
[3-Bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-(2-ethylimidazo[1,2-a]pyridin-3-yl)methanone
CID 126687543
(3-Chloro-4-methoxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
CID 126687576
(3-Chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
CID 126687577
(3-Chloro-4-hydroxy-5-iodophenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
CID 126687611
(3-Chloro-4-hydroxy-5-methylphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
CID 126687614

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone?
The IUPAC name of (3-bromo-5-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone (CID 126687578) is (3-bromo-5-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone.
What is the SMILES notation for (3-bromo-5-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone?
The canonical SMILES for (3-bromo-5-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone is CCc1nc2ccc(F)cn2c1C(=O)c1cc(Cl)c(O)c(Br)c1.
What is the InChIKey of (3-bromo-5-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone?
The InChIKey is CJIZNCQOWZYHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClFN2O2/c1-2-12-14(21-7-9(19)3-4-13(21)20-12)15(22)8-5-10(17)16(23)11(18)6-8/h3-7,23H,2H2,1H3.
What are the key properties of (3-bromo-5-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone?
(3-bromo-5-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone has a molecular weight of 397.63 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone is sourced from PubChem (CID 126687578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).