3-(1-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid

C10H10BrN3O2 — CID 117254893

IUPAC3-(1-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(N)c1nc(C(=O)O)c2c(Br)cccn12
InChIInChI=1S/C10H10BrN3O2/c1-5(12)9-13-7(10(15)16)8-6(11)3-2-4-14(8)9/h2-5H,12H2,1H3,(H,15,16)
InChIKeyPYPCDDZXJFOKFZ-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.81
Rot. Bonds2

About 3-(1-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid

3-(1-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117254893) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 3-(1-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117254893
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name3-(1-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(N)c1nc(C(=O)O)c2c(Br)cccn12
InChIInChI=1S/C10H10BrN3O2/c1-5(12)9-13-7(10(15)16)8-6(11)3-2-4-14(8)9/h2-5H,12H2,1H3,(H,15,16)
InChIKeyPYPCDDZXJFOKFZ-UHFFFAOYSA-N
XLogP1.81
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(1-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117254893) is 3-(1-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(1-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(1-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid is CC(N)c1nc(C(=O)O)c2c(Br)cccn12.
What is the InChIKey of 3-(1-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is PYPCDDZXJFOKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-5(12)9-13-7(10(15)16)8-6(11)3-2-4-14(8)9/h2-5H,12H2,1H3,(H,15,16).
What are the key properties of 3-(1-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid?
3-(1-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 284.11 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117254893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).