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

C14H12FN3O2 — CID 76850851

IUPAC[4-(4-amino-2-fluorophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methanol
SMILESNc1ccc(Oc2ccnc3c2ccn3CO)c(F)c1
InChIInChI=1S/C14H12FN3O2/c15-11-7-9(16)1-2-13(11)20-12-3-5-17-14-10(12)4-6-18(14)8-19/h1-7,19H,8,16H2
InChIKeyNZVFIODAVQMDSB-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.50
Rot. Bonds3

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

[4-(4-amino-2-fluorophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methanol (PubChem CID 76850851) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is [4-(4-amino-2-fluorophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methanol.

Molecular Properties

Compound Name[4-(4-amino-2-fluorophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methanol
PubChem CID76850851
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name[4-(4-amino-2-fluorophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methanol
SMILESNc1ccc(Oc2ccnc3c2ccn3CO)c(F)c1
InChIInChI=1S/C14H12FN3O2/c15-11-7-9(16)1-2-13(11)20-12-3-5-17-14-10(12)4-6-18(14)8-19/h1-7,19H,8,16H2
InChIKeyNZVFIODAVQMDSB-UHFFFAOYSA-N
XLogP2.50
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-2-fluorophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methanol?
The IUPAC name of [4-(4-amino-2-fluorophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methanol (CID 76850851) is [4-(4-amino-2-fluorophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methanol.
What is the SMILES notation for [4-(4-amino-2-fluorophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methanol?
The canonical SMILES for [4-(4-amino-2-fluorophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methanol is Nc1ccc(Oc2ccnc3c2ccn3CO)c(F)c1.
What is the InChIKey of [4-(4-amino-2-fluorophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methanol?
The InChIKey is NZVFIODAVQMDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c15-11-7-9(16)1-2-13(11)20-12-3-5-17-14-10(12)4-6-18(14)8-19/h1-7,19H,8,16H2.
What are the key properties of [4-(4-amino-2-fluorophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methanol?
[4-(4-amino-2-fluorophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methanol has a molecular weight of 273.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-2-fluorophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methanol is sourced from PubChem (CID 76850851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).