7-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine

C12H13BrN2O — CID 117133635

IUPAC7-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine
SMILESBrc1ccn2cc(C3CCOCC3)nc2c1
InChIInChI=1S/C12H13BrN2O/c13-10-1-4-15-8-11(14-12(15)7-10)9-2-5-16-6-3-9/h1,4,7-9H,2-3,5-6H2
InChIKeyWKTHNAKQLOMUCP-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.99
Rot. Bonds1

About 7-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine

7-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine (PubChem CID 117133635) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 7-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine
PubChem CID117133635
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name7-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine
SMILESBrc1ccn2cc(C3CCOCC3)nc2c1
InChIInChI=1S/C12H13BrN2O/c13-10-1-4-15-8-11(14-12(15)7-10)9-2-5-16-6-3-9/h1,4,7-9H,2-3,5-6H2
InChIKeyWKTHNAKQLOMUCP-UHFFFAOYSA-N
XLogP2.99
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 7-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine (CID 117133635) is 7-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 7-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine is Brc1ccn2cc(C3CCOCC3)nc2c1.
What is the InChIKey of 7-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine?
The InChIKey is WKTHNAKQLOMUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c13-10-1-4-15-8-11(14-12(15)7-10)9-2-5-16-6-3-9/h1,4,7-9H,2-3,5-6H2.
What are the key properties of 7-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine?
7-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine has a molecular weight of 281.15 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 117133635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).