3-chloro-6-ethoxy-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine

C14H11ClFN3O — CID 134496751

IUPAC3-chloro-6-ethoxy-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine
SMILESCCOc1cc(-c2ccc(F)nc2)c2c(Cl)cnn2c1
InChIInChI=1S/C14H11ClFN3O/c1-2-20-10-5-11(9-3-4-13(16)17-6-9)14-12(15)7-18-19(14)8-10/h3-8H,2H2,1H3
InChIKeyAITUXLXUSCHQMY-UHFFFAOYSA-N
MW291.71 g/mol
LogP3.59
Rot. Bonds3

About 3-chloro-6-ethoxy-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine

3-chloro-6-ethoxy-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine (PubChem CID 134496751) has the molecular formula C14H11ClFN3O and a molecular weight of 291.71 g/mol. Its IUPAC name is 3-chloro-6-ethoxy-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-chloro-6-ethoxy-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine
PubChem CID134496751
Molecular FormulaC14H11ClFN3O
Molecular Weight291.71 g/mol
Exact Mass291.06
IUPAC Name3-chloro-6-ethoxy-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine
SMILESCCOc1cc(-c2ccc(F)nc2)c2c(Cl)cnn2c1
InChIInChI=1S/C14H11ClFN3O/c1-2-20-10-5-11(9-3-4-13(16)17-6-9)14-12(15)7-18-19(14)8-10/h3-8H,2H2,1H3
InChIKeyAITUXLXUSCHQMY-UHFFFAOYSA-N
XLogP3.59
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-ethoxy-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-chloro-6-ethoxy-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine (CID 134496751) is 3-chloro-6-ethoxy-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-chloro-6-ethoxy-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-chloro-6-ethoxy-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine is CCOc1cc(-c2ccc(F)nc2)c2c(Cl)cnn2c1.
What is the InChIKey of 3-chloro-6-ethoxy-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine?
The InChIKey is AITUXLXUSCHQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O/c1-2-20-10-5-11(9-3-4-13(16)17-6-9)14-12(15)7-18-19(14)8-10/h3-8H,2H2,1H3.
What are the key properties of 3-chloro-6-ethoxy-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine?
3-chloro-6-ethoxy-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine has a molecular weight of 291.71 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-ethoxy-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 134496751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).