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

C16H11BrF2N2O2 — CID 126687501

IUPAC(3-bromo-5-fluoro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCCc1nc2ccc(F)cn2c1C(=O)c1cc(F)c(O)c(Br)c1
InChIInChI=1S/C16H11BrF2N2O2/c1-2-12-14(21-7-9(18)3-4-13(21)20-12)15(22)8-5-10(17)16(23)11(19)6-8/h3-7,23H,2H2,1H3
InChIKeyVFFYDURBOXWGMS-UHFFFAOYSA-N
MW381.18 g/mol
LogP3.87
Rot. Bonds3

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

(3-bromo-5-fluoro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone (PubChem CID 126687501) has the molecular formula C16H11BrF2N2O2 and a molecular weight of 381.18 g/mol. Its IUPAC name is (3-bromo-5-fluoro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-fluoro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
PubChem CID126687501
Molecular FormulaC16H11BrF2N2O2
Molecular Weight381.18 g/mol
Exact Mass380.00
IUPAC Name(3-bromo-5-fluoro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCCc1nc2ccc(F)cn2c1C(=O)c1cc(F)c(O)c(Br)c1
InChIInChI=1S/C16H11BrF2N2O2/c1-2-12-14(21-7-9(18)3-4-13(21)20-12)15(22)8-5-10(17)16(23)11(19)6-8/h3-7,23H,2H2,1H3
InChIKeyVFFYDURBOXWGMS-UHFFFAOYSA-N
XLogP3.87
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.18
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-bromo-5-fluoro-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. 16
CID 5330616
Lingdolinurad
CID 126687506
(6-Bromoimidazo[1,2-a]pyridin-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone;hydrochloride
CID 49860435
Xininurad
CID 139329673
(6-Bromoimidazo[1,2-a]pyridin-2-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone;dihydrochloride
CID 14097109
(2-Ethylimidazo[1,2-a]pyridin-3-yl)-(4-hydroxyphenyl)methanone
CID 455752
(2-Ethylimidazo[1,2-a]pyridin-3-yl)-(3-hydroxyphenyl)methanone
CID 455753
(E)-3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one
CID 118712277
2-(4-Bromophenyl)-6-(5-fluoro-2-hydroxybenzoyl)imidazo[1,2-a]pyridine-8-carbonitrile
CID 135032510
1-(4-Hydroxyphenyl)-2-imidazo[1,2-a]pyridin-3-ylethane-1,2-dione
CID 134956705
(6-Bromoimidazo[1,2-a]pyridin-2-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone
CID 10140986
(6-Bromoimidazo[1,2-a]pyridin-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone
CID 10163190

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluoro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone?
The IUPAC name of (3-bromo-5-fluoro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone (CID 126687501) is (3-bromo-5-fluoro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone.
What is the SMILES notation for (3-bromo-5-fluoro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone?
The canonical SMILES for (3-bromo-5-fluoro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone is CCc1nc2ccc(F)cn2c1C(=O)c1cc(F)c(O)c(Br)c1.
What is the InChIKey of (3-bromo-5-fluoro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone?
The InChIKey is VFFYDURBOXWGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF2N2O2/c1-2-12-14(21-7-9(18)3-4-13(21)20-12)15(22)8-5-10(17)16(23)11(19)6-8/h3-7,23H,2H2,1H3.
What are the key properties of (3-bromo-5-fluoro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone?
(3-bromo-5-fluoro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone has a molecular weight of 381.18 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluoro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone is sourced from PubChem (CID 126687501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).