5-[(4-fluorophenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine

C14H11FN2O — CID 59774820

IUPAC5-[(4-fluorophenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(COc2cnc3[nH]ccc3c2)cc1
InChIInChI=1S/C14H11FN2O/c15-12-3-1-10(2-4-12)9-18-13-7-11-5-6-16-14(11)17-8-13/h1-8H,9H2,(H,16,17)
InChIKeyLQIFYLTVSDKGQR-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.28
Rot. Bonds3

About 5-[(4-fluorophenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine

5-[(4-fluorophenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59774820) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine
PubChem CID59774820
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name5-[(4-fluorophenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(COc2cnc3[nH]ccc3c2)cc1
InChIInChI=1S/C14H11FN2O/c15-12-3-1-10(2-4-12)9-18-13-7-11-5-6-16-14(11)17-8-13/h1-8H,9H2,(H,16,17)
InChIKeyLQIFYLTVSDKGQR-UHFFFAOYSA-N
XLogP3.28
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine (CID 59774820) is 5-[(4-fluorophenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine is Fc1ccc(COc2cnc3[nH]ccc3c2)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LQIFYLTVSDKGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-12-3-1-10(2-4-12)9-18-13-7-11-5-6-16-14(11)17-8-13/h1-8H,9H2,(H,16,17).
What are the key properties of 5-[(4-fluorophenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
5-[(4-fluorophenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 242.25 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59774820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).