4-(3-chloropyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluoroaniline

C13H9ClFN3O — CID 118197738

IUPAC4-(3-chloropyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluoroaniline
SMILESNc1ccc(Oc2cccn3ncc(Cl)c23)c(F)c1
InChIInChI=1S/C13H9ClFN3O/c14-9-7-17-18-5-1-2-12(13(9)18)19-11-4-3-8(16)6-10(11)15/h1-7H,16H2
InChIKeySXMNDIAECOIPRT-UHFFFAOYSA-N
MW277.69 g/mol
LogP3.50
Rot. Bonds2

About 4-(3-chloropyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluoroaniline

4-(3-chloropyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluoroaniline (PubChem CID 118197738) has the molecular formula C13H9ClFN3O and a molecular weight of 277.69 g/mol. Its IUPAC name is 4-(3-chloropyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluoroaniline.

Molecular Properties

Compound Name4-(3-chloropyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluoroaniline
PubChem CID118197738
Molecular FormulaC13H9ClFN3O
Molecular Weight277.69 g/mol
Exact Mass277.04
IUPAC Name4-(3-chloropyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluoroaniline
SMILESNc1ccc(Oc2cccn3ncc(Cl)c23)c(F)c1
InChIInChI=1S/C13H9ClFN3O/c14-9-7-17-18-5-1-2-12(13(9)18)19-11-4-3-8(16)6-10(11)15/h1-7H,16H2
InChIKeySXMNDIAECOIPRT-UHFFFAOYSA-N
XLogP3.50
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.69
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluoroaniline?
The IUPAC name of 4-(3-chloropyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluoroaniline (CID 118197738) is 4-(3-chloropyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluoroaniline.
What is the SMILES notation for 4-(3-chloropyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluoroaniline?
The canonical SMILES for 4-(3-chloropyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluoroaniline is Nc1ccc(Oc2cccn3ncc(Cl)c23)c(F)c1.
What is the InChIKey of 4-(3-chloropyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluoroaniline?
The InChIKey is SXMNDIAECOIPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O/c14-9-7-17-18-5-1-2-12(13(9)18)19-11-4-3-8(16)6-10(11)15/h1-7H,16H2.
What are the key properties of 4-(3-chloropyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluoroaniline?
4-(3-chloropyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluoroaniline has a molecular weight of 277.69 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluoroaniline is sourced from PubChem (CID 118197738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).