6-(3-imidazol-1-ylprop-1-ynyl)pyridine-3-carbaldehyde

C12H9N3O — CID 122242285

IUPAC6-(3-imidazol-1-ylprop-1-ynyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(C#CCn2ccnc2)nc1
InChIInChI=1S/C12H9N3O/c16-9-11-3-4-12(14-8-11)2-1-6-15-7-5-13-10-15/h3-5,7-10H,6H2
InChIKeyORIUODXXSGFGPN-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.14
Rot. Bonds2

About 6-(3-imidazol-1-ylprop-1-ynyl)pyridine-3-carbaldehyde

6-(3-imidazol-1-ylprop-1-ynyl)pyridine-3-carbaldehyde (PubChem CID 122242285) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-(3-imidazol-1-ylprop-1-ynyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(3-imidazol-1-ylprop-1-ynyl)pyridine-3-carbaldehyde
PubChem CID122242285
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name6-(3-imidazol-1-ylprop-1-ynyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(C#CCn2ccnc2)nc1
InChIInChI=1S/C12H9N3O/c16-9-11-3-4-12(14-8-11)2-1-6-15-7-5-13-10-15/h3-5,7-10H,6H2
InChIKeyORIUODXXSGFGPN-UHFFFAOYSA-N
XLogP1.14
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-4-(3-imidazol-1-ylprop-1-ynyl)pyrimidine
CID 122242298
4-(3-imidazol-1-ylprop-1-ynyl)aniline
CID 122242372
2-(3-imidazol-1-ylprop-1-ynyl)-4-methylpyrimidine
CID 122242292
5-formylpyridine-2-carbonitrile
CID 10986263
1-[4-(3-imidazol-1-ylprop-1-ynyl)phenyl]ethanone
CID 122242368
benzaldehyde;1-benzylimidazole
CID 23446402
6-[2-(4-iodophenyl)ethynyl]pyridine-3-carbaldehyde
CID 59154305
2-(3-imidazol-1-ylprop-1-ynyl)-4-methoxypyrimidine
CID 122242291
3-(imidazol-1-ylmethyl)benzaldehyde
CID 10397537
3-(imidazol-1-ylmethyl)-4-methoxybenzaldehyde chloride
CID 53350504
5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile
CID 115487555
1-[3-[2-fluoro-5-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]prop-2-ynyl]imidazole
CID 171111051

Frequently Asked Questions

What is the IUPAC name of 6-(3-imidazol-1-ylprop-1-ynyl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(3-imidazol-1-ylprop-1-ynyl)pyridine-3-carbaldehyde (CID 122242285) is 6-(3-imidazol-1-ylprop-1-ynyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(3-imidazol-1-ylprop-1-ynyl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(3-imidazol-1-ylprop-1-ynyl)pyridine-3-carbaldehyde is O=Cc1ccc(C#CCn2ccnc2)nc1.
What is the InChIKey of 6-(3-imidazol-1-ylprop-1-ynyl)pyridine-3-carbaldehyde?
The InChIKey is ORIUODXXSGFGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c16-9-11-3-4-12(14-8-11)2-1-6-15-7-5-13-10-15/h3-5,7-10H,6H2.
What are the key properties of 6-(3-imidazol-1-ylprop-1-ynyl)pyridine-3-carbaldehyde?
6-(3-imidazol-1-ylprop-1-ynyl)pyridine-3-carbaldehyde has a molecular weight of 211.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-imidazol-1-ylprop-1-ynyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 122242285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).