4-bromo-2-[3-(hydroxymethyl)-7,8-dihydroimidazo[1,2-a]pyridin-2-yl]phenol

C14H13BrN2O2 — CID 123300330

IUPAC4-bromo-2-[3-(hydroxymethyl)-7,8-dihydroimidazo[1,2-a]pyridin-2-yl]phenol
SMILESOCc1c(-c2cc(Br)ccc2O)nc2n1C=CCC2
InChIInChI=1S/C14H13BrN2O2/c15-9-4-5-12(19)10(7-9)14-11(8-18)17-6-2-1-3-13(17)16-14/h2,4-7,18-19H,1,3,8H2
InChIKeyAYQKYNMOHSHZNM-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.93
Rot. Bonds2

About 4-bromo-2-[3-(hydroxymethyl)-7,8-dihydroimidazo[1,2-a]pyridin-2-yl]phenol

4-bromo-2-[3-(hydroxymethyl)-7,8-dihydroimidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 123300330) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 4-bromo-2-[3-(hydroxymethyl)-7,8-dihydroimidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-[3-(hydroxymethyl)-7,8-dihydroimidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID123300330
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name4-bromo-2-[3-(hydroxymethyl)-7,8-dihydroimidazo[1,2-a]pyridin-2-yl]phenol
SMILESOCc1c(-c2cc(Br)ccc2O)nc2n1C=CCC2
InChIInChI=1S/C14H13BrN2O2/c15-9-4-5-12(19)10(7-9)14-11(8-18)17-6-2-1-3-13(17)16-14/h2,4-7,18-19H,1,3,8H2
InChIKeyAYQKYNMOHSHZNM-UHFFFAOYSA-N
XLogP2.93
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[3-(hydroxymethyl)-7,8-dihydroimidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 4-bromo-2-[3-(hydroxymethyl)-7,8-dihydroimidazo[1,2-a]pyridin-2-yl]phenol (CID 123300330) is 4-bromo-2-[3-(hydroxymethyl)-7,8-dihydroimidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 4-bromo-2-[3-(hydroxymethyl)-7,8-dihydroimidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 4-bromo-2-[3-(hydroxymethyl)-7,8-dihydroimidazo[1,2-a]pyridin-2-yl]phenol is OCc1c(-c2cc(Br)ccc2O)nc2n1C=CCC2.
What is the InChIKey of 4-bromo-2-[3-(hydroxymethyl)-7,8-dihydroimidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is AYQKYNMOHSHZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-9-4-5-12(19)10(7-9)14-11(8-18)17-6-2-1-3-13(17)16-14/h2,4-7,18-19H,1,3,8H2.
What are the key properties of 4-bromo-2-[3-(hydroxymethyl)-7,8-dihydroimidazo[1,2-a]pyridin-2-yl]phenol?
4-bromo-2-[3-(hydroxymethyl)-7,8-dihydroimidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 321.17 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[3-(hydroxymethyl)-7,8-dihydroimidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 123300330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).