2-[6-(2,4-difluorophenoxy)pyrazolo[4,3-c]pyridin-1-yl]acetaldehyde

C14H9F2N3O2 — CID 87717358

IUPAC2-[6-(2,4-difluorophenoxy)pyrazolo[4,3-c]pyridin-1-yl]acetaldehyde
SMILESO=CCn1ncc2cnc(Oc3ccc(F)cc3F)cc21
InChIInChI=1S/C14H9F2N3O2/c15-10-1-2-13(11(16)5-10)21-14-6-12-9(7-17-14)8-18-19(12)3-4-20/h1-2,4-8H,3H2
InChIKeyZKJURIZJDYFKFL-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.70
Rot. Bonds4

About 2-[6-(2,4-difluorophenoxy)pyrazolo[4,3-c]pyridin-1-yl]acetaldehyde

2-[6-(2,4-difluorophenoxy)pyrazolo[4,3-c]pyridin-1-yl]acetaldehyde (PubChem CID 87717358) has the molecular formula C14H9F2N3O2 and a molecular weight of 289.24 g/mol. Its IUPAC name is 2-[6-(2,4-difluorophenoxy)pyrazolo[4,3-c]pyridin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[6-(2,4-difluorophenoxy)pyrazolo[4,3-c]pyridin-1-yl]acetaldehyde
PubChem CID87717358
Molecular FormulaC14H9F2N3O2
Molecular Weight289.24 g/mol
Exact Mass289.07
IUPAC Name2-[6-(2,4-difluorophenoxy)pyrazolo[4,3-c]pyridin-1-yl]acetaldehyde
SMILESO=CCn1ncc2cnc(Oc3ccc(F)cc3F)cc21
InChIInChI=1S/C14H9F2N3O2/c15-10-1-2-13(11(16)5-10)21-14-6-12-9(7-17-14)8-18-19(12)3-4-20/h1-2,4-8H,3H2
InChIKeyZKJURIZJDYFKFL-UHFFFAOYSA-N
XLogP2.70
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,4-difluorophenoxy)pyrazolo[4,3-c]pyridin-1-yl]acetaldehyde?
The IUPAC name of 2-[6-(2,4-difluorophenoxy)pyrazolo[4,3-c]pyridin-1-yl]acetaldehyde (CID 87717358) is 2-[6-(2,4-difluorophenoxy)pyrazolo[4,3-c]pyridin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[6-(2,4-difluorophenoxy)pyrazolo[4,3-c]pyridin-1-yl]acetaldehyde?
The canonical SMILES for 2-[6-(2,4-difluorophenoxy)pyrazolo[4,3-c]pyridin-1-yl]acetaldehyde is O=CCn1ncc2cnc(Oc3ccc(F)cc3F)cc21.
What is the InChIKey of 2-[6-(2,4-difluorophenoxy)pyrazolo[4,3-c]pyridin-1-yl]acetaldehyde?
The InChIKey is ZKJURIZJDYFKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O2/c15-10-1-2-13(11(16)5-10)21-14-6-12-9(7-17-14)8-18-19(12)3-4-20/h1-2,4-8H,3H2.
What are the key properties of 2-[6-(2,4-difluorophenoxy)pyrazolo[4,3-c]pyridin-1-yl]acetaldehyde?
2-[6-(2,4-difluorophenoxy)pyrazolo[4,3-c]pyridin-1-yl]acetaldehyde has a molecular weight of 289.24 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,4-difluorophenoxy)pyrazolo[4,3-c]pyridin-1-yl]acetaldehyde is sourced from PubChem (CID 87717358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).