[2-(7-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromo-5-methoxyphenyl]methanol

C15H14BrN3O2 — CID 140914651

IUPAC[2-(7-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromo-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N)cc3n2)cc1Br
InChIInChI=1S/C15H14BrN3O2/c1-21-14-4-9(8-20)11(6-12(14)16)13-7-19-3-2-10(17)5-15(19)18-13/h2-7,20H,8,17H2,1H3
InChIKeyJPWVOVMLBGDAME-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.85
Rot. Bonds3

About [2-(7-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromo-5-methoxyphenyl]methanol

[2-(7-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromo-5-methoxyphenyl]methanol (PubChem CID 140914651) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is [2-(7-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromo-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-(7-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromo-5-methoxyphenyl]methanol
PubChem CID140914651
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name[2-(7-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromo-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N)cc3n2)cc1Br
InChIInChI=1S/C15H14BrN3O2/c1-21-14-4-9(8-20)11(6-12(14)16)13-7-19-3-2-10(17)5-15(19)18-13/h2-7,20H,8,17H2,1H3
InChIKeyJPWVOVMLBGDAME-UHFFFAOYSA-N
XLogP2.85
TPSA72.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(7-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromo-5-methoxyphenyl]methanol?
The IUPAC name of [2-(7-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromo-5-methoxyphenyl]methanol (CID 140914651) is [2-(7-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromo-5-methoxyphenyl]methanol.
What is the SMILES notation for [2-(7-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromo-5-methoxyphenyl]methanol?
The canonical SMILES for [2-(7-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromo-5-methoxyphenyl]methanol is COc1cc(CO)c(-c2cn3ccc(N)cc3n2)cc1Br.
What is the InChIKey of [2-(7-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromo-5-methoxyphenyl]methanol?
The InChIKey is JPWVOVMLBGDAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-21-14-4-9(8-20)11(6-12(14)16)13-7-19-3-2-10(17)5-15(19)18-13/h2-7,20H,8,17H2,1H3.
What are the key properties of [2-(7-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromo-5-methoxyphenyl]methanol?
[2-(7-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromo-5-methoxyphenyl]methanol has a molecular weight of 348.20 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromo-5-methoxyphenyl]methanol is sourced from PubChem (CID 140914651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).