2-(3-bromo-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid

C10H13BrN2O2 — CID 83867630

IUPAC2-(3-bromo-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid
SMILESCc1nc(Br)n2c1C(CC(=O)O)CCC2
InChIInChI=1S/C10H13BrN2O2/c1-6-9-7(5-8(14)15)3-2-4-13(9)10(11)12-6/h7H,2-5H2,1H3,(H,14,15)
InChIKeyABWZZGMOWSHPNO-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.31
Rot. Bonds2

About 2-(3-bromo-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid

2-(3-bromo-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid (PubChem CID 83867630) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(3-bromo-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid
PubChem CID83867630
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-(3-bromo-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid
SMILESCc1nc(Br)n2c1C(CC(=O)O)CCC2
InChIInChI=1S/C10H13BrN2O2/c1-6-9-7(5-8(14)15)3-2-4-13(9)10(11)12-6/h7H,2-5H2,1H3,(H,14,15)
InChIKeyABWZZGMOWSHPNO-UHFFFAOYSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid?
The IUPAC name of 2-(3-bromo-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid (CID 83867630) is 2-(3-bromo-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid.
What is the SMILES notation for 2-(3-bromo-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid?
The canonical SMILES for 2-(3-bromo-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid is Cc1nc(Br)n2c1C(CC(=O)O)CCC2.
What is the InChIKey of 2-(3-bromo-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid?
The InChIKey is ABWZZGMOWSHPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-6-9-7(5-8(14)15)3-2-4-13(9)10(11)12-6/h7H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-(3-bromo-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid?
2-(3-bromo-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid has a molecular weight of 273.13 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid is sourced from PubChem (CID 83867630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).