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

C13H11FN4O — CID 167775407

IUPAC2-fluoro-3-[(1H-pyrazolo[3,4-b]pyridin-5-ylamino)methyl]phenol
SMILESOc1cccc(CNc2cnc3[nH]ncc3c2)c1F
InChIInChI=1S/C13H11FN4O/c14-12-8(2-1-3-11(12)19)5-15-10-4-9-6-17-18-13(9)16-7-10/h1-4,6-7,15,19H,5H2,(H,16,17,18)
InChIKeyXWPJUFYYEUDJHL-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.41
Rot. Bonds3

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

2-fluoro-3-[(1H-pyrazolo[3,4-b]pyridin-5-ylamino)methyl]phenol (PubChem CID 167775407) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 2-fluoro-3-[(1H-pyrazolo[3,4-b]pyridin-5-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-3-[(1H-pyrazolo[3,4-b]pyridin-5-ylamino)methyl]phenol
PubChem CID167775407
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name2-fluoro-3-[(1H-pyrazolo[3,4-b]pyridin-5-ylamino)methyl]phenol
SMILESOc1cccc(CNc2cnc3[nH]ncc3c2)c1F
InChIInChI=1S/C13H11FN4O/c14-12-8(2-1-3-11(12)19)5-15-10-4-9-6-17-18-13(9)16-7-10/h1-4,6-7,15,19H,5H2,(H,16,17,18)
InChIKeyXWPJUFYYEUDJHL-UHFFFAOYSA-N
XLogP2.41
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[(1H-pyrazolo[3,4-b]pyridin-5-ylamino)methyl]phenol?
The IUPAC name of 2-fluoro-3-[(1H-pyrazolo[3,4-b]pyridin-5-ylamino)methyl]phenol (CID 167775407) is 2-fluoro-3-[(1H-pyrazolo[3,4-b]pyridin-5-ylamino)methyl]phenol.
What is the SMILES notation for 2-fluoro-3-[(1H-pyrazolo[3,4-b]pyridin-5-ylamino)methyl]phenol?
The canonical SMILES for 2-fluoro-3-[(1H-pyrazolo[3,4-b]pyridin-5-ylamino)methyl]phenol is Oc1cccc(CNc2cnc3[nH]ncc3c2)c1F.
What is the InChIKey of 2-fluoro-3-[(1H-pyrazolo[3,4-b]pyridin-5-ylamino)methyl]phenol?
The InChIKey is XWPJUFYYEUDJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c14-12-8(2-1-3-11(12)19)5-15-10-4-9-6-17-18-13(9)16-7-10/h1-4,6-7,15,19H,5H2,(H,16,17,18).
What are the key properties of 2-fluoro-3-[(1H-pyrazolo[3,4-b]pyridin-5-ylamino)methyl]phenol?
2-fluoro-3-[(1H-pyrazolo[3,4-b]pyridin-5-ylamino)methyl]phenol has a molecular weight of 258.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[(1H-pyrazolo[3,4-b]pyridin-5-ylamino)methyl]phenol is sourced from PubChem (CID 167775407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).