6-(imidazol-1-ylmethyl)pyridine-2-carbaldehyde

C10H9N3O — CID 71463812

IUPAC6-(imidazol-1-ylmethyl)pyridine-2-carbaldehyde
SMILESO=Cc1cccc(Cn2ccnc2)n1
InChIInChI=1S/C10H9N3O/c14-7-10-3-1-2-9(12-10)6-13-5-4-11-8-13/h1-5,7-8H,6H2
InChIKeyDYFIAUNNGZLIFO-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.14
Rot. Bonds3

About 6-(imidazol-1-ylmethyl)pyridine-2-carbaldehyde

6-(imidazol-1-ylmethyl)pyridine-2-carbaldehyde (PubChem CID 71463812) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 6-(imidazol-1-ylmethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(imidazol-1-ylmethyl)pyridine-2-carbaldehyde
PubChem CID71463812
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name6-(imidazol-1-ylmethyl)pyridine-2-carbaldehyde
SMILESO=Cc1cccc(Cn2ccnc2)n1
InChIInChI=1S/C10H9N3O/c14-7-10-3-1-2-9(12-10)6-13-5-4-11-8-13/h1-5,7-8H,6H2
InChIKeyDYFIAUNNGZLIFO-UHFFFAOYSA-N
XLogP1.14
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(imidazol-1-ylmethyl)pyridine-2-carbaldehyde?
The IUPAC name of 6-(imidazol-1-ylmethyl)pyridine-2-carbaldehyde (CID 71463812) is 6-(imidazol-1-ylmethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(imidazol-1-ylmethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-(imidazol-1-ylmethyl)pyridine-2-carbaldehyde is O=Cc1cccc(Cn2ccnc2)n1.
What is the InChIKey of 6-(imidazol-1-ylmethyl)pyridine-2-carbaldehyde?
The InChIKey is DYFIAUNNGZLIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c14-7-10-3-1-2-9(12-10)6-13-5-4-11-8-13/h1-5,7-8H,6H2.
What are the key properties of 6-(imidazol-1-ylmethyl)pyridine-2-carbaldehyde?
6-(imidazol-1-ylmethyl)pyridine-2-carbaldehyde has a molecular weight of 187.20 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(imidazol-1-ylmethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 71463812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).