[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol

C14H12N2O — CID 58086854

IUPAC[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol
SMILESOCc1cccc(-c2cnc3[nH]ccc3c2)c1
InChIInChI=1S/C14H12N2O/c17-9-10-2-1-3-11(6-10)13-7-12-4-5-15-14(12)16-8-13/h1-8,17H,9H2,(H,15,16)
InChIKeySXKCOFMVBVDURQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.72
Rot. Bonds2

About [3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol

[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol (PubChem CID 58086854) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is [3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol
PubChem CID58086854
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol
SMILESOCc1cccc(-c2cnc3[nH]ccc3c2)c1
InChIInChI=1S/C14H12N2O/c17-9-10-2-1-3-11(6-10)13-7-12-4-5-15-14(12)16-8-13/h1-8,17H,9H2,(H,15,16)
InChIKeySXKCOFMVBVDURQ-UHFFFAOYSA-N
XLogP2.72
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol?
The IUPAC name of [3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol (CID 58086854) is [3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol.
What is the SMILES notation for [3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol?
The canonical SMILES for [3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol is OCc1cccc(-c2cnc3[nH]ccc3c2)c1.
What is the InChIKey of [3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol?
The InChIKey is SXKCOFMVBVDURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c17-9-10-2-1-3-11(6-10)13-7-12-4-5-15-14(12)16-8-13/h1-8,17H,9H2,(H,15,16).
What are the key properties of [3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol?
[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol has a molecular weight of 224.26 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol is sourced from PubChem (CID 58086854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).