[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]methanol

C14H12FN3O — CID 130228647

IUPAC[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]methanol
SMILESOCc1nn(Cc2ccccc2F)c2ncccc12
InChIInChI=1S/C14H12FN3O/c15-12-6-2-1-4-10(12)8-18-14-11(5-3-7-16-14)13(9-19)17-18/h1-7,19H,8-9H2
InChIKeyLFXUGMDBGRGXMF-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.11
Rot. Bonds3

About [1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]methanol

[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]methanol (PubChem CID 130228647) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is [1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]methanol
PubChem CID130228647
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]methanol
SMILESOCc1nn(Cc2ccccc2F)c2ncccc12
InChIInChI=1S/C14H12FN3O/c15-12-6-2-1-4-10(12)8-18-14-11(5-3-7-16-14)13(9-19)17-18/h1-7,19H,8-9H2
InChIKeyLFXUGMDBGRGXMF-UHFFFAOYSA-N
XLogP2.11
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]methanol?
The IUPAC name of [1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]methanol (CID 130228647) is [1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]methanol.
What is the SMILES notation for [1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]methanol?
The canonical SMILES for [1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]methanol is OCc1nn(Cc2ccccc2F)c2ncccc12.
What is the InChIKey of [1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]methanol?
The InChIKey is LFXUGMDBGRGXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c15-12-6-2-1-4-10(12)8-18-14-11(5-3-7-16-14)13(9-19)17-18/h1-7,19H,8-9H2.
What are the key properties of [1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]methanol?
[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]methanol has a molecular weight of 257.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]methanol is sourced from PubChem (CID 130228647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).