[1-[(4-fluorophenyl)methyl]-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl]methanol

C16H15FN2O3S — CID 22504455

IUPAC[1-[(4-fluorophenyl)methyl]-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl]methanol
SMILESCS(=O)(=O)c1cnc2c(c1)cc(CO)n2Cc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O3S/c1-23(21,22)15-7-12-6-14(10-20)19(16(12)18-8-15)9-11-2-4-13(17)5-3-11/h2-8,20H,9-10H2,1H3
InChIKeyGVYQVHRIYSOTAO-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.12
Rot. Bonds4

About [1-[(4-fluorophenyl)methyl]-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl]methanol

[1-[(4-fluorophenyl)methyl]-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl]methanol (PubChem CID 22504455) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl]methanol
PubChem CID22504455
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name[1-[(4-fluorophenyl)methyl]-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl]methanol
SMILESCS(=O)(=O)c1cnc2c(c1)cc(CO)n2Cc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O3S/c1-23(21,22)15-7-12-6-14(10-20)19(16(12)18-8-15)9-11-2-4-13(17)5-3-11/h2-8,20H,9-10H2,1H3
InChIKeyGVYQVHRIYSOTAO-UHFFFAOYSA-N
XLogP2.12
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl]methanol?
The IUPAC name of [1-[(4-fluorophenyl)methyl]-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl]methanol (CID 22504455) is [1-[(4-fluorophenyl)methyl]-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl]methanol.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl]methanol?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl]methanol is CS(=O)(=O)c1cnc2c(c1)cc(CO)n2Cc1ccc(F)cc1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl]methanol?
The InChIKey is GVYQVHRIYSOTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-23(21,22)15-7-12-6-14(10-20)19(16(12)18-8-15)9-11-2-4-13(17)5-3-11/h2-8,20H,9-10H2,1H3.
What are the key properties of [1-[(4-fluorophenyl)methyl]-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl]methanol?
[1-[(4-fluorophenyl)methyl]-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl]methanol has a molecular weight of 334.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl]methanol is sourced from PubChem (CID 22504455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).