3-bromo-5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxybenzonitrile

C17H12BrN3O2 — CID 126687506

IUPAC3-bromo-5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxybenzonitrile
SMILESCCc1nc2ccccn2c1C(=O)c1cc(Br)c(O)c(C#N)c1
InChIInChI=1S/C17H12BrN3O2/c1-2-13-15(21-6-4-3-5-14(21)20-13)17(23)10-7-11(9-19)16(22)12(18)8-10/h3-8,22H,2H2,1H3
InChIKeyRQGCKMOCOOAGEG-UHFFFAOYSA-N
MW370.21 g/mol
LogP3.47
Rot. Bonds3

About 3-bromo-5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxybenzonitrile

3-bromo-5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxybenzonitrile (PubChem CID 126687506) has the molecular formula C17H12BrN3O2 and a molecular weight of 370.21 g/mol. Its IUPAC name is 3-bromo-5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxybenzonitrile.

Molecular Properties

Compound Name3-bromo-5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxybenzonitrile
PubChem CID126687506
Molecular FormulaC17H12BrN3O2
Molecular Weight370.21 g/mol
Exact Mass369.01
IUPAC Name3-bromo-5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxybenzonitrile
SMILESCCc1nc2ccccn2c1C(=O)c1cc(Br)c(O)c(C#N)c1
InChIInChI=1S/C17H12BrN3O2/c1-2-13-15(21-6-4-3-5-14(21)20-13)17(23)10-7-11(9-19)16(22)12(18)8-10/h3-8,22H,2H2,1H3
InChIKeyRQGCKMOCOOAGEG-UHFFFAOYSA-N
XLogP3.47
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(6-Bromoimidazo[1,2-a]pyridin-2-yl)-2-hydroxybenzamide
CID 134132677
Xininurad
CID 139329673
2-(2-Hydroxy-5-methylbenzoyl)pyrido[1,2-a][1,3]benzimidazole-4-carbonitrile
CID 1484504
(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
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
5-(2-Ethylimidazo[1,2-a]pyridine-3-carbonyl)-3-fluoro-2-hydroxybenzonitrile
CID 126687479
(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
(2-Ethylimidazo[1,2-a]pyridin-3-yl)-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone
CID 126687541
[3-Bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-(2-ethylimidazo[1,2-a]pyridin-3-yl)methanone
CID 126687543

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxybenzonitrile?
The IUPAC name of 3-bromo-5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxybenzonitrile (CID 126687506) is 3-bromo-5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxybenzonitrile.
What is the SMILES notation for 3-bromo-5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxybenzonitrile?
The canonical SMILES for 3-bromo-5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxybenzonitrile is CCc1nc2ccccn2c1C(=O)c1cc(Br)c(O)c(C#N)c1.
What is the InChIKey of 3-bromo-5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxybenzonitrile?
The InChIKey is RQGCKMOCOOAGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O2/c1-2-13-15(21-6-4-3-5-14(21)20-13)17(23)10-7-11(9-19)16(22)12(18)8-10/h3-8,22H,2H2,1H3.
What are the key properties of 3-bromo-5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxybenzonitrile?
3-bromo-5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxybenzonitrile has a molecular weight of 370.21 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxybenzonitrile is sourced from PubChem (CID 126687506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).