1-bromo-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol

C12H13BrN2O2 — CID 117249506

IUPAC1-bromo-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
SMILESOC1CCn2c(Cc3ccco3)nc(Br)c2C1
InChIInChI=1S/C12H13BrN2O2/c13-12-10-6-8(16)3-4-15(10)11(14-12)7-9-2-1-5-17-9/h1-2,5,8,16H,3-4,6-7H2
InChIKeyRAKUDRTWOWWBKF-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.14
Rot. Bonds2

About 1-bromo-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol

1-bromo-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol (PubChem CID 117249506) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 1-bromo-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol.

Molecular Properties

Compound Name1-bromo-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
PubChem CID117249506
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name1-bromo-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
SMILESOC1CCn2c(Cc3ccco3)nc(Br)c2C1
InChIInChI=1S/C12H13BrN2O2/c13-12-10-6-8(16)3-4-15(10)11(14-12)7-9-2-1-5-17-9/h1-2,5,8,16H,3-4,6-7H2
InChIKeyRAKUDRTWOWWBKF-UHFFFAOYSA-N
XLogP2.14
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-bromo-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol with MolForge

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Related Compounds

1-bromo-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
CID 117249504
1-bromo-3-(furan-2-ylmethyl)-8-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117250210
3-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
CID 117151844
1-bromo-3-(furan-2-ylmethyl)imidazo[1,5-a]pyridin-5-amine
CID 117250918
1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 106671878
(3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420188
3-(furan-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117140006
2-(furan-2-ylmethyl)imidazo[1,2-a]pyridin-8-ol
CID 117137864
1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol
CID 110929404
6-bromo-2-(furan-2-ylmethyl)imidazo[1,2-a]pyridine
CID 117130982
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291
1,5-bis(furan-2-ylmethyl)-8-(2-hydroxycyclononyl)-1,5-diazonan-7-ol
CID 70112543

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol?
The IUPAC name of 1-bromo-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol (CID 117249506) is 1-bromo-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol.
What is the SMILES notation for 1-bromo-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol?
The canonical SMILES for 1-bromo-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol is OC1CCn2c(Cc3ccco3)nc(Br)c2C1.
What is the InChIKey of 1-bromo-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol?
The InChIKey is RAKUDRTWOWWBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c13-12-10-6-8(16)3-4-15(10)11(14-12)7-9-2-1-5-17-9/h1-2,5,8,16H,3-4,6-7H2.
What are the key properties of 1-bromo-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol?
1-bromo-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol has a molecular weight of 297.15 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol is sourced from PubChem (CID 117249506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).