3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzaldehyde

C20H13ClN2O — CID 86675961

IUPAC3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzaldehyde
SMILESO=Cc1cccc(-c2ccn3nc(-c4ccc(Cl)cc4)cc3c2)c1
InChIInChI=1S/C20H13ClN2O/c21-18-6-4-15(5-7-18)20-12-19-11-17(8-9-23(19)22-20)16-3-1-2-14(10-16)13-24/h1-13H
InChIKeyHXIAVNCKKKPEJI-UHFFFAOYSA-N
MW332.79 g/mol
LogP5.13
Rot. Bonds3

About 3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzaldehyde

3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzaldehyde (PubChem CID 86675961) has the molecular formula C20H13ClN2O and a molecular weight of 332.79 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzaldehyde.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzaldehyde
PubChem CID86675961
Molecular FormulaC20H13ClN2O
Molecular Weight332.79 g/mol
Exact Mass332.07
IUPAC Name3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzaldehyde
SMILESO=Cc1cccc(-c2ccn3nc(-c4ccc(Cl)cc4)cc3c2)c1
InChIInChI=1S/C20H13ClN2O/c21-18-6-4-15(5-7-18)20-12-19-11-17(8-9-23(19)22-20)16-3-1-2-14(10-16)13-24/h1-13H
InChIKeyHXIAVNCKKKPEJI-UHFFFAOYSA-N
XLogP5.13
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.79
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzaldehyde?
The IUPAC name of 3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzaldehyde (CID 86675961) is 3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzaldehyde.
What is the SMILES notation for 3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzaldehyde?
The canonical SMILES for 3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzaldehyde is O=Cc1cccc(-c2ccn3nc(-c4ccc(Cl)cc4)cc3c2)c1.
What is the InChIKey of 3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzaldehyde?
The InChIKey is HXIAVNCKKKPEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O/c21-18-6-4-15(5-7-18)20-12-19-11-17(8-9-23(19)22-20)16-3-1-2-14(10-16)13-24/h1-13H.
What are the key properties of 3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzaldehyde?
3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzaldehyde has a molecular weight of 332.79 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzaldehyde is sourced from PubChem (CID 86675961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).