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

C16H10F4N2O — CID 3362807

IUPAC2,2,2-trifluoro-1-[1-[(2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone
SMILESO=C(c1cn(Cc2ccccc2F)c2ncccc12)C(F)(F)F
InChIInChI=1S/C16H10F4N2O/c17-13-6-2-1-4-10(13)8-22-9-12(14(23)16(18,19)20)11-5-3-7-21-15(11)22/h1-7,9H,8H2
InChIKeyDQVXQRIGJKYGJH-UHFFFAOYSA-N
MW322.26 g/mol
LogP3.97
Rot. Bonds3

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

2,2,2-trifluoro-1-[1-[(2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone (PubChem CID 3362807) has the molecular formula C16H10F4N2O and a molecular weight of 322.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-[(2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-[(2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone
PubChem CID3362807
Molecular FormulaC16H10F4N2O
Molecular Weight322.26 g/mol
Exact Mass322.07
IUPAC Name2,2,2-trifluoro-1-[1-[(2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone
SMILESO=C(c1cn(Cc2ccccc2F)c2ncccc12)C(F)(F)F
InChIInChI=1S/C16H10F4N2O/c17-13-6-2-1-4-10(13)8-22-9-12(14(23)16(18,19)20)11-5-3-7-21-15(11)22/h1-7,9H,8H2
InChIKeyDQVXQRIGJKYGJH-UHFFFAOYSA-N
XLogP3.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-[(2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-[(2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone (CID 3362807) is 2,2,2-trifluoro-1-[1-[(2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-[(2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-[(2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone is O=C(c1cn(Cc2ccccc2F)c2ncccc12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[1-[(2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone?
The InChIKey is DQVXQRIGJKYGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2O/c17-13-6-2-1-4-10(13)8-22-9-12(14(23)16(18,19)20)11-5-3-7-21-15(11)22/h1-7,9H,8H2.
What are the key properties of 2,2,2-trifluoro-1-[1-[(2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone?
2,2,2-trifluoro-1-[1-[(2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone has a molecular weight of 322.26 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-[(2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone is sourced from PubChem (CID 3362807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).