[1-(2,2-difluoro-2-phenylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol

C16H14F2N2O — CID 116790128

IUPAC[1-(2,2-difluoro-2-phenylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESOCc1cn(CC(F)(F)c2ccccc2)c2ncccc12
InChIInChI=1S/C16H14F2N2O/c17-16(18,13-5-2-1-3-6-13)11-20-9-12(10-21)14-7-4-8-19-15(14)20/h1-9,21H,10-11H2
InChIKeyUEARMBQZFQBKCO-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.32
Rot. Bonds4

About [1-(2,2-difluoro-2-phenylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol

[1-(2,2-difluoro-2-phenylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 116790128) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is [1-(2,2-difluoro-2-phenylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2,2-difluoro-2-phenylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID116790128
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name[1-(2,2-difluoro-2-phenylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESOCc1cn(CC(F)(F)c2ccccc2)c2ncccc12
InChIInChI=1S/C16H14F2N2O/c17-16(18,13-5-2-1-3-6-13)11-20-9-12(10-21)14-7-4-8-19-15(14)20/h1-9,21H,10-11H2
InChIKeyUEARMBQZFQBKCO-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoro-2-phenylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [1-(2,2-difluoro-2-phenylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 116790128) is [1-(2,2-difluoro-2-phenylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [1-(2,2-difluoro-2-phenylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [1-(2,2-difluoro-2-phenylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol is OCc1cn(CC(F)(F)c2ccccc2)c2ncccc12.
What is the InChIKey of [1-(2,2-difluoro-2-phenylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is UEARMBQZFQBKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c17-16(18,13-5-2-1-3-6-13)11-20-9-12(10-21)14-7-4-8-19-15(14)20/h1-9,21H,10-11H2.
What are the key properties of [1-(2,2-difluoro-2-phenylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
[1-(2,2-difluoro-2-phenylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 288.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoro-2-phenylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 116790128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).