3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-ol

C10H10N2O — CID 169453432

IUPAC3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-ol
SMILESOCC=Cc1cnc2[nH]ccc2c1
InChIInChI=1S/C10H10N2O/c13-5-1-2-8-6-9-3-4-11-10(9)12-7-8/h1-4,6-7,13H,5H2,(H,11,12)
InChIKeyDTDXTUCQJUXVTE-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.57
Rot. Bonds2

About 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-ol

3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-ol (PubChem CID 169453432) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-ol
PubChem CID169453432
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-ol
SMILESOCC=Cc1cnc2[nH]ccc2c1
InChIInChI=1S/C10H10N2O/c13-5-1-2-8-6-9-3-4-11-10(9)12-7-8/h1-4,6-7,13H,5H2,(H,11,12)
InChIKeyDTDXTUCQJUXVTE-UHFFFAOYSA-N
XLogP1.57
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.57
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)prop-2-en-1-ol?
The IUPAC name of 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-ol (CID 169453432) is 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-ol.
What is the SMILES notation for 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-ol?
The canonical SMILES for 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-ol is OCC=Cc1cnc2[nH]ccc2c1.
What is the InChIKey of 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-ol?
The InChIKey is DTDXTUCQJUXVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c13-5-1-2-8-6-9-3-4-11-10(9)12-7-8/h1-4,6-7,13H,5H2,(H,11,12).
What are the key properties of 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-ol?
3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-ol has a molecular weight of 174.20 g/mol, XLogP of 1.57, 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)prop-2-en-1-ol is sourced from PubChem (CID 169453432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).