1-chloro-7-pyrrolidin-2-ylimidazo[1,5-a]pyridine

C11H12ClN3 — CID 83890392

IUPAC1-chloro-7-pyrrolidin-2-ylimidazo[1,5-a]pyridine
SMILESClc1ncn2ccc(C3CCCN3)cc12
InChIInChI=1S/C11H12ClN3/c12-11-10-6-8(9-2-1-4-13-9)3-5-15(10)7-14-11/h3,5-7,9,13H,1-2,4H2
InChIKeyXCFHLSMZYZNSNK-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.41
Rot. Bonds1

About 1-chloro-7-pyrrolidin-2-ylimidazo[1,5-a]pyridine

1-chloro-7-pyrrolidin-2-ylimidazo[1,5-a]pyridine (PubChem CID 83890392) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 1-chloro-7-pyrrolidin-2-ylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-chloro-7-pyrrolidin-2-ylimidazo[1,5-a]pyridine
PubChem CID83890392
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name1-chloro-7-pyrrolidin-2-ylimidazo[1,5-a]pyridine
SMILESClc1ncn2ccc(C3CCCN3)cc12
InChIInChI=1S/C11H12ClN3/c12-11-10-6-8(9-2-1-4-13-9)3-5-15(10)7-14-11/h3,5-7,9,13H,1-2,4H2
InChIKeyXCFHLSMZYZNSNK-UHFFFAOYSA-N
XLogP2.41
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-7-pyrrolidin-2-ylimidazo[1,5-a]pyridine?
The IUPAC name of 1-chloro-7-pyrrolidin-2-ylimidazo[1,5-a]pyridine (CID 83890392) is 1-chloro-7-pyrrolidin-2-ylimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-chloro-7-pyrrolidin-2-ylimidazo[1,5-a]pyridine?
The canonical SMILES for 1-chloro-7-pyrrolidin-2-ylimidazo[1,5-a]pyridine is Clc1ncn2ccc(C3CCCN3)cc12.
What is the InChIKey of 1-chloro-7-pyrrolidin-2-ylimidazo[1,5-a]pyridine?
The InChIKey is XCFHLSMZYZNSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c12-11-10-6-8(9-2-1-4-13-9)3-5-15(10)7-14-11/h3,5-7,9,13H,1-2,4H2.
What are the key properties of 1-chloro-7-pyrrolidin-2-ylimidazo[1,5-a]pyridine?
1-chloro-7-pyrrolidin-2-ylimidazo[1,5-a]pyridine has a molecular weight of 221.69 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7-pyrrolidin-2-ylimidazo[1,5-a]pyridine is sourced from PubChem (CID 83890392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).