7-(4-fluorophenoxy)-2,3-dimethyl-1H-pyrrolo[3,2-b]pyridine

C15H13FN2O — CID 68703353

IUPAC7-(4-fluorophenoxy)-2,3-dimethyl-1H-pyrrolo[3,2-b]pyridine
SMILESCc1[nH]c2c(Oc3ccc(F)cc3)ccnc2c1C
InChIInChI=1S/C15H13FN2O/c1-9-10(2)18-15-13(7-8-17-14(9)15)19-12-5-3-11(16)4-6-12/h3-8,18H,1-2H3
InChIKeyFNIYCHDYHXKXKE-UHFFFAOYSA-N
MW256.28 g/mol
LogP4.11
Rot. Bonds2

About 7-(4-fluorophenoxy)-2,3-dimethyl-1H-pyrrolo[3,2-b]pyridine

7-(4-fluorophenoxy)-2,3-dimethyl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 68703353) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 7-(4-fluorophenoxy)-2,3-dimethyl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name7-(4-fluorophenoxy)-2,3-dimethyl-1H-pyrrolo[3,2-b]pyridine
PubChem CID68703353
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name7-(4-fluorophenoxy)-2,3-dimethyl-1H-pyrrolo[3,2-b]pyridine
SMILESCc1[nH]c2c(Oc3ccc(F)cc3)ccnc2c1C
InChIInChI=1S/C15H13FN2O/c1-9-10(2)18-15-13(7-8-17-14(9)15)19-12-5-3-11(16)4-6-12/h3-8,18H,1-2H3
InChIKeyFNIYCHDYHXKXKE-UHFFFAOYSA-N
XLogP4.11
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenoxy)-2,3-dimethyl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 7-(4-fluorophenoxy)-2,3-dimethyl-1H-pyrrolo[3,2-b]pyridine (CID 68703353) is 7-(4-fluorophenoxy)-2,3-dimethyl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 7-(4-fluorophenoxy)-2,3-dimethyl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 7-(4-fluorophenoxy)-2,3-dimethyl-1H-pyrrolo[3,2-b]pyridine is Cc1[nH]c2c(Oc3ccc(F)cc3)ccnc2c1C.
What is the InChIKey of 7-(4-fluorophenoxy)-2,3-dimethyl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is FNIYCHDYHXKXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-9-10(2)18-15-13(7-8-17-14(9)15)19-12-5-3-11(16)4-6-12/h3-8,18H,1-2H3.
What are the key properties of 7-(4-fluorophenoxy)-2,3-dimethyl-1H-pyrrolo[3,2-b]pyridine?
7-(4-fluorophenoxy)-2,3-dimethyl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 256.28 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenoxy)-2,3-dimethyl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 68703353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).