1-bromoimidazo[1,5-a]pyridine;ethane

C9H11BrN2 — CID 144796494

IUPAC1-bromoimidazo[1,5-a]pyridine;ethane
SMILESBrc1ncn2ccccc12.CC
InChIInChI=1S/C7H5BrN2.C2H6/c8-7-6-3-1-2-4-10(6)5-9-7;1-2/h1-5H;1-2H3
InChIKeyJTDRDRWPQOKJIY-UHFFFAOYSA-N
MW227.11 g/mol
LogP3.12
Rot. Bonds

About 1-bromoimidazo[1,5-a]pyridine;ethane

1-bromoimidazo[1,5-a]pyridine;ethane (PubChem CID 144796494) has the molecular formula C9H11BrN2 and a molecular weight of 227.11 g/mol. Its IUPAC name is 1-bromoimidazo[1,5-a]pyridine;ethane.

Molecular Properties

Compound Name1-bromoimidazo[1,5-a]pyridine;ethane
PubChem CID144796494
Molecular FormulaC9H11BrN2
Molecular Weight227.11 g/mol
Exact Mass226.01
IUPAC Name1-bromoimidazo[1,5-a]pyridine;ethane
SMILESBrc1ncn2ccccc12.CC
InChIInChI=1S/C7H5BrN2.C2H6/c8-7-6-3-1-2-4-10(6)5-9-7;1-2/h1-5H;1-2H3
InChIKeyJTDRDRWPQOKJIY-UHFFFAOYSA-N
XLogP3.12
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.11
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromoimidazo[1,5-a]pyridine;ethane?
The IUPAC name of 1-bromoimidazo[1,5-a]pyridine;ethane (CID 144796494) is 1-bromoimidazo[1,5-a]pyridine;ethane.
What is the SMILES notation for 1-bromoimidazo[1,5-a]pyridine;ethane?
The canonical SMILES for 1-bromoimidazo[1,5-a]pyridine;ethane is Brc1ncn2ccccc12.CC.
What is the InChIKey of 1-bromoimidazo[1,5-a]pyridine;ethane?
The InChIKey is JTDRDRWPQOKJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2.C2H6/c8-7-6-3-1-2-4-10(6)5-9-7;1-2/h1-5H;1-2H3.
What are the key properties of 1-bromoimidazo[1,5-a]pyridine;ethane?
1-bromoimidazo[1,5-a]pyridine;ethane has a molecular weight of 227.11 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromoimidazo[1,5-a]pyridine;ethane is sourced from PubChem (CID 144796494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).