5-ethyl-2-fluoro-4-(1H-pyrazolo[4,5-b]pyridin-6-yl)phenol

C14H12FN3O — CID 155665188

IUPAC5-ethyl-2-fluoro-4-(1H-pyrazolo[4,5-b]pyridin-6-yl)phenol
SMILESCCc1cc(O)c(F)cc1-c1cnc2cn[nH]c2c1
InChIInChI=1S/C14H12FN3O/c1-2-8-4-14(19)11(15)5-10(8)9-3-12-13(16-6-9)7-17-18-12/h3-7,19H,2H2,1H3,(H,17,18)
InChIKeyVBNQVHMMGBFEOL-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.03
Rot. Bonds2

About 5-ethyl-2-fluoro-4-(1H-pyrazolo[4,5-b]pyridin-6-yl)phenol

5-ethyl-2-fluoro-4-(1H-pyrazolo[4,5-b]pyridin-6-yl)phenol (PubChem CID 155665188) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 5-ethyl-2-fluoro-4-(1H-pyrazolo[4,5-b]pyridin-6-yl)phenol.

Molecular Properties

Compound Name5-ethyl-2-fluoro-4-(1H-pyrazolo[4,5-b]pyridin-6-yl)phenol
PubChem CID155665188
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name5-ethyl-2-fluoro-4-(1H-pyrazolo[4,5-b]pyridin-6-yl)phenol
SMILESCCc1cc(O)c(F)cc1-c1cnc2cn[nH]c2c1
InChIInChI=1S/C14H12FN3O/c1-2-8-4-14(19)11(15)5-10(8)9-3-12-13(16-6-9)7-17-18-12/h3-7,19H,2H2,1H3,(H,17,18)
InChIKeyVBNQVHMMGBFEOL-UHFFFAOYSA-N
XLogP3.03
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-fluoro-4-(1H-pyrazolo[4,5-b]pyridin-6-yl)phenol?
The IUPAC name of 5-ethyl-2-fluoro-4-(1H-pyrazolo[4,5-b]pyridin-6-yl)phenol (CID 155665188) is 5-ethyl-2-fluoro-4-(1H-pyrazolo[4,5-b]pyridin-6-yl)phenol.
What is the SMILES notation for 5-ethyl-2-fluoro-4-(1H-pyrazolo[4,5-b]pyridin-6-yl)phenol?
The canonical SMILES for 5-ethyl-2-fluoro-4-(1H-pyrazolo[4,5-b]pyridin-6-yl)phenol is CCc1cc(O)c(F)cc1-c1cnc2cn[nH]c2c1.
What is the InChIKey of 5-ethyl-2-fluoro-4-(1H-pyrazolo[4,5-b]pyridin-6-yl)phenol?
The InChIKey is VBNQVHMMGBFEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-2-8-4-14(19)11(15)5-10(8)9-3-12-13(16-6-9)7-17-18-12/h3-7,19H,2H2,1H3,(H,17,18).
What are the key properties of 5-ethyl-2-fluoro-4-(1H-pyrazolo[4,5-b]pyridin-6-yl)phenol?
5-ethyl-2-fluoro-4-(1H-pyrazolo[4,5-b]pyridin-6-yl)phenol has a molecular weight of 257.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-fluoro-4-(1H-pyrazolo[4,5-b]pyridin-6-yl)phenol is sourced from PubChem (CID 155665188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).