[4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol

C14H11FN2O2 — CID 141134183

IUPAC[4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESOCc1c[nH]c2nccc(Oc3ccccc3F)c12
InChIInChI=1S/C14H11FN2O2/c15-10-3-1-2-4-11(10)19-12-5-6-16-14-13(12)9(8-18)7-17-14/h1-7,18H,8H2,(H,16,17)
InChIKeyGKHBVUUTDXTMPD-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.99
Rot. Bonds3

About [4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol

[4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 141134183) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is [4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID141134183
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name[4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESOCc1c[nH]c2nccc(Oc3ccccc3F)c12
InChIInChI=1S/C14H11FN2O2/c15-10-3-1-2-4-11(10)19-12-5-6-16-14-13(12)9(8-18)7-17-14/h1-7,18H,8H2,(H,16,17)
InChIKeyGKHBVUUTDXTMPD-UHFFFAOYSA-N
XLogP2.99
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 141134183) is [4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol is OCc1c[nH]c2nccc(Oc3ccccc3F)c12.
What is the InChIKey of [4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is GKHBVUUTDXTMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c15-10-3-1-2-4-11(10)19-12-5-6-16-14-13(12)9(8-18)7-17-14/h1-7,18H,8H2,(H,16,17).
What are the key properties of [4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
[4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 258.25 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 141134183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).