2-fluoro-4-(pyrazolo[1,5-a]pyridin-3-ylamino)phenol

C13H10FN3O — CID 22402111

IUPAC2-fluoro-4-(pyrazolo[1,5-a]pyridin-3-ylamino)phenol
SMILESOc1ccc(Nc2cnn3ccccc23)cc1F
InChIInChI=1S/C13H10FN3O/c14-10-7-9(4-5-13(10)18)16-11-8-15-17-6-2-1-3-12(11)17/h1-8,16,18H
InChIKeyHBYSVPBCKGQFMJ-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.92
Rot. Bonds2

About 2-fluoro-4-(pyrazolo[1,5-a]pyridin-3-ylamino)phenol

2-fluoro-4-(pyrazolo[1,5-a]pyridin-3-ylamino)phenol (PubChem CID 22402111) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-fluoro-4-(pyrazolo[1,5-a]pyridin-3-ylamino)phenol.

Molecular Properties

Compound Name2-fluoro-4-(pyrazolo[1,5-a]pyridin-3-ylamino)phenol
PubChem CID22402111
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name2-fluoro-4-(pyrazolo[1,5-a]pyridin-3-ylamino)phenol
SMILESOc1ccc(Nc2cnn3ccccc23)cc1F
InChIInChI=1S/C13H10FN3O/c14-10-7-9(4-5-13(10)18)16-11-8-15-17-6-2-1-3-12(11)17/h1-8,16,18H
InChIKeyHBYSVPBCKGQFMJ-UHFFFAOYSA-N
XLogP2.92
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(pyrazolo[1,5-a]pyridin-3-ylamino)phenol?
The IUPAC name of 2-fluoro-4-(pyrazolo[1,5-a]pyridin-3-ylamino)phenol (CID 22402111) is 2-fluoro-4-(pyrazolo[1,5-a]pyridin-3-ylamino)phenol.
What is the SMILES notation for 2-fluoro-4-(pyrazolo[1,5-a]pyridin-3-ylamino)phenol?
The canonical SMILES for 2-fluoro-4-(pyrazolo[1,5-a]pyridin-3-ylamino)phenol is Oc1ccc(Nc2cnn3ccccc23)cc1F.
What is the InChIKey of 2-fluoro-4-(pyrazolo[1,5-a]pyridin-3-ylamino)phenol?
The InChIKey is HBYSVPBCKGQFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c14-10-7-9(4-5-13(10)18)16-11-8-15-17-6-2-1-3-12(11)17/h1-8,16,18H.
What are the key properties of 2-fluoro-4-(pyrazolo[1,5-a]pyridin-3-ylamino)phenol?
2-fluoro-4-(pyrazolo[1,5-a]pyridin-3-ylamino)phenol has a molecular weight of 243.24 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(pyrazolo[1,5-a]pyridin-3-ylamino)phenol is sourced from PubChem (CID 22402111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).