3-fluoro-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one

C14H11FN2O — CID 14739524

IUPAC3-fluoro-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one
SMILESCC1(F)C(=O)N(c2ccccc2)c2ncccc21
InChIInChI=1S/C14H11FN2O/c1-14(15)11-8-5-9-16-12(11)17(13(14)18)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyQDDSQYKVWUNFOB-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.94
Rot. Bonds1

About 3-fluoro-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one

3-fluoro-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one (PubChem CID 14739524) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one
PubChem CID14739524
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name3-fluoro-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one
SMILESCC1(F)C(=O)N(c2ccccc2)c2ncccc21
InChIInChI=1S/C14H11FN2O/c1-14(15)11-8-5-9-16-12(11)17(13(14)18)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyQDDSQYKVWUNFOB-UHFFFAOYSA-N
XLogP2.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3-fluoro-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one (CID 14739524) is 3-fluoro-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-fluoro-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3-fluoro-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one is CC1(F)C(=O)N(c2ccccc2)c2ncccc21.
What is the InChIKey of 3-fluoro-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one?
The InChIKey is QDDSQYKVWUNFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c1-14(15)11-8-5-9-16-12(11)17(13(14)18)10-6-3-2-4-7-10/h2-9H,1H3.
What are the key properties of 3-fluoro-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one?
3-fluoro-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one has a molecular weight of 242.25 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 14739524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).