2-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]acetaldehyde

C17H12FN5O — CID 166646246

IUPAC2-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]acetaldehyde
SMILESO=CCc1ccc2nnn(Cc3cc4cccnc4cc3F)c2n1
InChIInChI=1S/C17H12FN5O/c18-14-9-16-11(2-1-6-19-16)8-12(14)10-23-17-15(21-22-23)4-3-13(20-17)5-7-24/h1-4,6-9H,5,10H2
InChIKeyBQZSWNXLVDZOGF-UHFFFAOYSA-N
MW321.32 g/mol
LogP2.30
Rot. Bonds4

About 2-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]acetaldehyde

2-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]acetaldehyde (PubChem CID 166646246) has the molecular formula C17H12FN5O and a molecular weight of 321.32 g/mol. Its IUPAC name is 2-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]acetaldehyde
PubChem CID166646246
Molecular FormulaC17H12FN5O
Molecular Weight321.32 g/mol
Exact Mass321.10
IUPAC Name2-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]acetaldehyde
SMILESO=CCc1ccc2nnn(Cc3cc4cccnc4cc3F)c2n1
InChIInChI=1S/C17H12FN5O/c18-14-9-16-11(2-1-6-19-16)8-12(14)10-23-17-15(21-22-23)4-3-13(20-17)5-7-24/h1-4,6-9H,5,10H2
InChIKeyBQZSWNXLVDZOGF-UHFFFAOYSA-N
XLogP2.30
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]acetaldehyde?
The IUPAC name of 2-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]acetaldehyde (CID 166646246) is 2-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]acetaldehyde.
What is the SMILES notation for 2-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]acetaldehyde?
The canonical SMILES for 2-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]acetaldehyde is O=CCc1ccc2nnn(Cc3cc4cccnc4cc3F)c2n1.
What is the InChIKey of 2-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]acetaldehyde?
The InChIKey is BQZSWNXLVDZOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O/c18-14-9-16-11(2-1-6-19-16)8-12(14)10-23-17-15(21-22-23)4-3-13(20-17)5-7-24/h1-4,6-9H,5,10H2.
What are the key properties of 2-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]acetaldehyde?
2-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]acetaldehyde has a molecular weight of 321.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]acetaldehyde is sourced from PubChem (CID 166646246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).