6-ethynyl-1H-imidazo[4,5-b]pyridine

C8H5N3 — CID 18007825

IUPAC6-ethynyl-1H-imidazo[4,5-b]pyridine
SMILESC#Cc1cnc2nc[nH]c2c1
InChIInChI=1S/C8H5N3/c1-2-6-3-7-8(9-4-6)11-5-10-7/h1,3-5H,(H,9,10,11)
InChIKeyYPNIXMJEIIWTKT-UHFFFAOYSA-N
MW143.15 g/mol
LogP0.94
Rot. Bonds

About 6-ethynyl-1H-imidazo[4,5-b]pyridine

6-ethynyl-1H-imidazo[4,5-b]pyridine (PubChem CID 18007825) has the molecular formula C8H5N3 and a molecular weight of 143.15 g/mol. Its IUPAC name is 6-ethynyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-ethynyl-1H-imidazo[4,5-b]pyridine
PubChem CID18007825
Molecular FormulaC8H5N3
Molecular Weight143.15 g/mol
Exact Mass143.05
IUPAC Name6-ethynyl-1H-imidazo[4,5-b]pyridine
SMILESC#Cc1cnc2nc[nH]c2c1
InChIInChI=1S/C8H5N3/c1-2-6-3-7-8(9-4-6)11-5-10-7/h1,3-5H,(H,9,10,11)
InChIKeyYPNIXMJEIIWTKT-UHFFFAOYSA-N
XLogP0.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-yn-1-ol
CID 169485141
7H-purine;trihydrochloride
CID 141012213
6-(tetrazol-2-yl)-1H-imidazo[4,5-b]pyridine
CID 172859169
6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
CID 12784298
6-prop-1-enyl-1H-imidazo[4,5-b]pyridine
CID 123869797
7H-purine thiocyanate
CID 19026223
N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 67355721
methyl 1H-imidazo[4,5-b]pyridine-6-carboxylate
CID 71433321
5-(1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyridin-2-one
CID 141435972
N-ethyl-1H-imidazo[4,5-b]pyridine-6-sulfonamide
CID 168899012
3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enamide
CID 169481908
7H-purine;pyridazine
CID 159359816

Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-ethynyl-1H-imidazo[4,5-b]pyridine (CID 18007825) is 6-ethynyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-ethynyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-ethynyl-1H-imidazo[4,5-b]pyridine is C#Cc1cnc2nc[nH]c2c1.
What is the InChIKey of 6-ethynyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is YPNIXMJEIIWTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3/c1-2-6-3-7-8(9-4-6)11-5-10-7/h1,3-5H,(H,9,10,11).
What are the key properties of 6-ethynyl-1H-imidazo[4,5-b]pyridine?
6-ethynyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 143.15 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 18007825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).