4-[6-(fluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]phenol

C13H10FN3O — CID 137159976

IUPAC4-[6-(fluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]phenol
SMILESOc1ccc(-c2n[nH]c3cc(CF)cnc23)cc1
InChIInChI=1S/C13H10FN3O/c14-6-8-5-11-13(15-7-8)12(17-16-11)9-1-3-10(18)4-2-9/h1-5,7,18H,6H2,(H,16,17)
InChIKeyYJNBMEHSTVDKOK-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.80
Rot. Bonds2

About 4-[6-(fluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]phenol

4-[6-(fluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]phenol (PubChem CID 137159976) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 4-[6-(fluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]phenol.

Molecular Properties

Compound Name4-[6-(fluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]phenol
PubChem CID137159976
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name4-[6-(fluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]phenol
SMILESOc1ccc(-c2n[nH]c3cc(CF)cnc23)cc1
InChIInChI=1S/C13H10FN3O/c14-6-8-5-11-13(15-7-8)12(17-16-11)9-1-3-10(18)4-2-9/h1-5,7,18H,6H2,(H,16,17)
InChIKeyYJNBMEHSTVDKOK-UHFFFAOYSA-N
XLogP2.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(fluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]phenol?
The IUPAC name of 4-[6-(fluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]phenol (CID 137159976) is 4-[6-(fluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]phenol.
What is the SMILES notation for 4-[6-(fluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]phenol?
The canonical SMILES for 4-[6-(fluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]phenol is Oc1ccc(-c2n[nH]c3cc(CF)cnc23)cc1.
What is the InChIKey of 4-[6-(fluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]phenol?
The InChIKey is YJNBMEHSTVDKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c14-6-8-5-11-13(15-7-8)12(17-16-11)9-1-3-10(18)4-2-9/h1-5,7,18H,6H2,(H,16,17).
What are the key properties of 4-[6-(fluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]phenol?
4-[6-(fluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]phenol has a molecular weight of 243.24 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(fluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]phenol is sourced from PubChem (CID 137159976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).