1-(6-imidazol-1-yl-3-pyridinyl)ethanone

C10H9N3O — CID 58305612

IUPAC1-(6-imidazol-1-yl-3-pyridinyl)ethanone
SMILESCC(=O)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C10H9N3O/c1-8(14)9-2-3-10(12-6-9)13-5-4-11-7-13/h2-7H,1H3
InChIKeyTYVFEMRFHCSQOF-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.47
Rot. Bonds2

About 1-(6-imidazol-1-yl-3-pyridinyl)ethanone

1-(6-imidazol-1-yl-3-pyridinyl)ethanone (PubChem CID 58305612) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-(6-imidazol-1-yl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(6-imidazol-1-yl-3-pyridinyl)ethanone
PubChem CID58305612
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name1-(6-imidazol-1-yl-3-pyridinyl)ethanone
SMILESCC(=O)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C10H9N3O/c1-8(14)9-2-3-10(12-6-9)13-5-4-11-7-13/h2-7H,1H3
InChIKeyTYVFEMRFHCSQOF-UHFFFAOYSA-N
XLogP1.47
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-yl-3-pyridinyl)ethanone?
The IUPAC name of 1-(6-imidazol-1-yl-3-pyridinyl)ethanone (CID 58305612) is 1-(6-imidazol-1-yl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(6-imidazol-1-yl-3-pyridinyl)ethanone?
The canonical SMILES for 1-(6-imidazol-1-yl-3-pyridinyl)ethanone is CC(=O)c1ccc(-n2ccnc2)nc1.
What is the InChIKey of 1-(6-imidazol-1-yl-3-pyridinyl)ethanone?
The InChIKey is TYVFEMRFHCSQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-8(14)9-2-3-10(12-6-9)13-5-4-11-7-13/h2-7H,1H3.
What are the key properties of 1-(6-imidazol-1-yl-3-pyridinyl)ethanone?
1-(6-imidazol-1-yl-3-pyridinyl)ethanone has a molecular weight of 187.20 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-yl-3-pyridinyl)ethanone is sourced from PubChem (CID 58305612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).