6-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde

C13H8ClN3O — CID 84742426

IUPAC6-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1nc(-c2cccnc2)n2cc(Cl)ccc12
InChIInChI=1S/C13H8ClN3O/c14-10-3-4-12-11(8-18)16-13(17(12)7-10)9-2-1-5-15-6-9/h1-8H
InChIKeySEMFJSKIQYYWAD-UHFFFAOYSA-N
MW257.68 g/mol
LogP2.86
Rot. Bonds2

About 6-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde

6-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 84742426) has the molecular formula C13H8ClN3O and a molecular weight of 257.68 g/mol. Its IUPAC name is 6-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID84742426
Molecular FormulaC13H8ClN3O
Molecular Weight257.68 g/mol
Exact Mass257.04
IUPAC Name6-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1nc(-c2cccnc2)n2cc(Cl)ccc12
InChIInChI=1S/C13H8ClN3O/c14-10-3-4-12-11(8-18)16-13(17(12)7-10)9-2-1-5-15-6-9/h1-8H
InChIKeySEMFJSKIQYYWAD-UHFFFAOYSA-N
XLogP2.86
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 6-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde (CID 84742426) is 6-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 6-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 6-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde is O=Cc1nc(-c2cccnc2)n2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is SEMFJSKIQYYWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O/c14-10-3-4-12-11(8-18)16-13(17(12)7-10)9-2-1-5-15-6-9/h1-8H.
What are the key properties of 6-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde?
6-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde has a molecular weight of 257.68 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 84742426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).