1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid

C11H11BrN2O2 — CID 83678824

IUPAC1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCC(C)c1nc(Br)c2cc(C(=O)O)ccn12
InChIInChI=1S/C11H11BrN2O2/c1-6(2)10-13-9(12)8-5-7(11(15)16)3-4-14(8)10/h3-6H,1-2H3,(H,15,16)
InChIKeyDHOFAUUEZJZIKN-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.92
Rot. Bonds2

About 1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid

1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 83678824) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID83678824
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCC(C)c1nc(Br)c2cc(C(=O)O)ccn12
InChIInChI=1S/C11H11BrN2O2/c1-6(2)10-13-9(12)8-5-7(11(15)16)3-4-14(8)10/h3-6H,1-2H3,(H,15,16)
InChIKeyDHOFAUUEZJZIKN-UHFFFAOYSA-N
XLogP2.92
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid (CID 83678824) is 1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid is CC(C)c1nc(Br)c2cc(C(=O)O)ccn12.
What is the InChIKey of 1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is DHOFAUUEZJZIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-6(2)10-13-9(12)8-5-7(11(15)16)3-4-14(8)10/h3-6H,1-2H3,(H,15,16).
What are the key properties of 1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid?
1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 283.12 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 83678824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).