[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]methanol

C15H13FN2O — CID 90133482

IUPAC[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]methanol
SMILESOCc1ccc2ccn(Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C15H13FN2O/c16-13-4-1-11(2-5-13)9-18-8-7-12-3-6-14(10-19)17-15(12)18/h1-8,19H,9-10H2
InChIKeyUTTOMYCQKFDLOG-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.72
Rot. Bonds3

About [1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]methanol

[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]methanol (PubChem CID 90133482) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]methanol.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]methanol
PubChem CID90133482
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]methanol
SMILESOCc1ccc2ccn(Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C15H13FN2O/c16-13-4-1-11(2-5-13)9-18-8-7-12-3-6-14(10-19)17-15(12)18/h1-8,19H,9-10H2
InChIKeyUTTOMYCQKFDLOG-UHFFFAOYSA-N
XLogP2.72
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]methanol?
The IUPAC name of [1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]methanol (CID 90133482) is [1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]methanol.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]methanol?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]methanol is OCc1ccc2ccn(Cc3ccc(F)cc3)c2n1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]methanol?
The InChIKey is UTTOMYCQKFDLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-13-4-1-11(2-5-13)9-18-8-7-12-3-6-14(10-19)17-15(12)18/h1-8,19H,9-10H2.
What are the key properties of [1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]methanol?
[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]methanol has a molecular weight of 256.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]methanol is sourced from PubChem (CID 90133482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).