1-[1-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone

C15H11FN2O — CID 58565364

IUPAC1-[1-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone
SMILESCC(=O)c1cc2cccnc2n1-c1cccc(F)c1
InChIInChI=1S/C15H11FN2O/c1-10(19)14-8-11-4-3-7-17-15(11)18(14)13-6-2-5-12(16)9-13/h2-9H,1H3
InChIKeyHZBKQQUYGNLOPA-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.37
Rot. Bonds2

About 1-[1-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone

1-[1-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone (PubChem CID 58565364) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone
PubChem CID58565364
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name1-[1-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone
SMILESCC(=O)c1cc2cccnc2n1-c1cccc(F)c1
InChIInChI=1S/C15H11FN2O/c1-10(19)14-8-11-4-3-7-17-15(11)18(14)13-6-2-5-12(16)9-13/h2-9H,1H3
InChIKeyHZBKQQUYGNLOPA-UHFFFAOYSA-N
XLogP3.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone?
The IUPAC name of 1-[1-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone (CID 58565364) is 1-[1-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone?
The canonical SMILES for 1-[1-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone is CC(=O)c1cc2cccnc2n1-c1cccc(F)c1.
What is the InChIKey of 1-[1-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone?
The InChIKey is HZBKQQUYGNLOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c1-10(19)14-8-11-4-3-7-17-15(11)18(14)13-6-2-5-12(16)9-13/h2-9H,1H3.
What are the key properties of 1-[1-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone?
1-[1-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone has a molecular weight of 254.26 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone is sourced from PubChem (CID 58565364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).