1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol

C8H11BrN2O — CID 117248552

IUPAC1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
SMILESCc1nc(Br)c2n1CC(O)CC2
InChIInChI=1S/C8H11BrN2O/c1-5-10-8(9)7-3-2-6(12)4-11(5)7/h6,12H,2-4H2,1H3
InChIKeyMKAFVHOLSFLMHC-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.26
Rot. Bonds

About 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol

1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol (PubChem CID 117248552) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol.

Molecular Properties

Compound Name1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
PubChem CID117248552
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
SMILESCc1nc(Br)c2n1CC(O)CC2
InChIInChI=1S/C8H11BrN2O/c1-5-10-8(9)7-3-2-6(12)4-11(5)7/h6,12H,2-4H2,1H3
InChIKeyMKAFVHOLSFLMHC-UHFFFAOYSA-N
XLogP1.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
The IUPAC name of 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol (CID 117248552) is 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol.
What is the SMILES notation for 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
The canonical SMILES for 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol is Cc1nc(Br)c2n1CC(O)CC2.
What is the InChIKey of 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
The InChIKey is MKAFVHOLSFLMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-5-10-8(9)7-3-2-6(12)4-11(5)7/h6,12H,2-4H2,1H3.
What are the key properties of 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol has a molecular weight of 231.09 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol is sourced from PubChem (CID 117248552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).