3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-yn-1-ol

C9H7N3O — CID 169485141

IUPAC3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-yn-1-ol
SMILESOCC#Cc1cnc2nc[nH]c2c1
InChIInChI=1S/C9H7N3O/c13-3-1-2-7-4-8-9(10-5-7)12-6-11-8/h4-6,13H,3H2,(H,10,11,12)
InChIKeyTUJXOBVFGDUSIP-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.30
Rot. Bonds

About 3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-yn-1-ol

3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-yn-1-ol (PubChem CID 169485141) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-yn-1-ol
PubChem CID169485141
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-yn-1-ol
SMILESOCC#Cc1cnc2nc[nH]c2c1
InChIInChI=1S/C9H7N3O/c13-3-1-2-7-4-8-9(10-5-7)12-6-11-8/h4-6,13H,3H2,(H,10,11,12)
InChIKeyTUJXOBVFGDUSIP-UHFFFAOYSA-N
XLogP0.30
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-yn-1-ol (CID 169485141) is 3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-yn-1-ol is OCC#Cc1cnc2nc[nH]c2c1.
What is the InChIKey of 3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-yn-1-ol?
The InChIKey is TUJXOBVFGDUSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c13-3-1-2-7-4-8-9(10-5-7)12-6-11-8/h4-6,13H,3H2,(H,10,11,12).
What are the key properties of 3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-yn-1-ol?
3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-yn-1-ol has a molecular weight of 173.17 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-yn-1-ol is sourced from PubChem (CID 169485141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).