1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C7H8BrClN2 — CID 116984683

IUPAC1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESClc1nc(Br)c2n1CCCC2
InChIInChI=1S/C7H8BrClN2/c8-6-5-3-1-2-4-11(5)7(9)10-6/h1-4H2
InChIKeyHCWMHEUILKOJDU-UHFFFAOYSA-N
MW235.51 g/mol
LogP2.64
Rot. Bonds

About 1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 116984683) has the molecular formula C7H8BrClN2 and a molecular weight of 235.51 g/mol. Its IUPAC name is 1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID116984683
Molecular FormulaC7H8BrClN2
Molecular Weight235.51 g/mol
Exact Mass233.96
IUPAC Name1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESClc1nc(Br)c2n1CCCC2
InChIInChI=1S/C7H8BrClN2/c8-6-5-3-1-2-4-11(5)7(9)10-6/h1-4H2
InChIKeyHCWMHEUILKOJDU-UHFFFAOYSA-N
XLogP2.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.51
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 116984683) is 1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is Clc1nc(Br)c2n1CCCC2.
What is the InChIKey of 1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is HCWMHEUILKOJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClN2/c8-6-5-3-1-2-4-11(5)7(9)10-6/h1-4H2.
What are the key properties of 1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 235.51 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 116984683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).