2-ethynyl-4-imidazol-1-ylpyridine

C10H7N3 — CID 130116081

IUPAC2-ethynyl-4-imidazol-1-ylpyridine
SMILESC#Cc1cc(-n2ccnc2)ccn1
InChIInChI=1S/C10H7N3/c1-2-9-7-10(3-4-12-9)13-6-5-11-8-13/h1,3-8H
InChIKeyICTVMECAXFCSAS-UHFFFAOYSA-N
MW169.19 g/mol
LogP1.25
Rot. Bonds1

About 2-ethynyl-4-imidazol-1-ylpyridine

2-ethynyl-4-imidazol-1-ylpyridine (PubChem CID 130116081) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-ethynyl-4-imidazol-1-ylpyridine.

Molecular Properties

Compound Name2-ethynyl-4-imidazol-1-ylpyridine
PubChem CID130116081
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name2-ethynyl-4-imidazol-1-ylpyridine
SMILESC#Cc1cc(-n2ccnc2)ccn1
InChIInChI=1S/C10H7N3/c1-2-9-7-10(3-4-12-9)13-6-5-11-8-13/h1,3-8H
InChIKeyICTVMECAXFCSAS-UHFFFAOYSA-N
XLogP1.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-4-imidazol-1-ylpyridine
CID 61257830
4-imidazol-1-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 66521512
5,8-di(imidazol-1-yl)quinoxaline
CID 132507181
1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171
1-naphthalen-2-ylimidazole
CID 23644748
(4-imidazol-1-yl-2-pyridinyl)-morpholin-4-ylmethanone
CID 71801444
4-imidazol-1-yl-2-methylaniline
CID 14450260
1-(3-fluoro-4-methylphenyl)imidazole
CID 18758587
2-bromo-5-imidazol-1-ylphenol
CID 84701020
1-(3-tert-butylphenyl)imidazole
CID 59332766
(4-imidazol-1-ylphenyl)arsane
CID 173134933
2-bromo-5-imidazol-1-ylpyridine
CID 66521352

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-4-imidazol-1-ylpyridine?
The IUPAC name of 2-ethynyl-4-imidazol-1-ylpyridine (CID 130116081) is 2-ethynyl-4-imidazol-1-ylpyridine.
What is the SMILES notation for 2-ethynyl-4-imidazol-1-ylpyridine?
The canonical SMILES for 2-ethynyl-4-imidazol-1-ylpyridine is C#Cc1cc(-n2ccnc2)ccn1.
What is the InChIKey of 2-ethynyl-4-imidazol-1-ylpyridine?
The InChIKey is ICTVMECAXFCSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3/c1-2-9-7-10(3-4-12-9)13-6-5-11-8-13/h1,3-8H.
What are the key properties of 2-ethynyl-4-imidazol-1-ylpyridine?
2-ethynyl-4-imidazol-1-ylpyridine has a molecular weight of 169.19 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-4-imidazol-1-ylpyridine is sourced from PubChem (CID 130116081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).