1H-imidazol-2-yl(pyridin-3-yl)methanone

C9H7N3O — CID 7147291

IUPAC1H-imidazol-2-yl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)c1ncc[nH]1
InChIInChI=1S/C9H7N3O/c13-8(9-11-4-5-12-9)7-2-1-3-10-6-7/h1-6H,(H,11,12)
InChIKeyPBBSMRSSNMUEEJ-UHFFFAOYSA-N
MW173.18 g/mol
LogP1.04
Rot. Bonds2

About 1H-imidazol-2-yl(pyridin-3-yl)methanone

1H-imidazol-2-yl(pyridin-3-yl)methanone (PubChem CID 7147291) has the molecular formula C9H7N3O and a molecular weight of 173.18 g/mol. Its IUPAC name is 1H-imidazol-2-yl(pyridin-3-yl)methanone.

Molecular Properties

Compound Name1H-imidazol-2-yl(pyridin-3-yl)methanone
PubChem CID7147291
Molecular FormulaC9H7N3O
Molecular Weight173.18 g/mol
Exact Mass173.06
IUPAC Name1H-imidazol-2-yl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)c1ncc[nH]1
InChIInChI=1S/C9H7N3O/c13-8(9-11-4-5-12-9)7-2-1-3-10-6-7/h1-6H,(H,11,12)
InChIKeyPBBSMRSSNMUEEJ-UHFFFAOYSA-N
XLogP1.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1H-imidazol-2-yl(pyridin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl(pyridin-3-yl)methanone?
The IUPAC name of 1H-imidazol-2-yl(pyridin-3-yl)methanone (CID 7147291) is 1H-imidazol-2-yl(pyridin-3-yl)methanone.
What is the SMILES notation for 1H-imidazol-2-yl(pyridin-3-yl)methanone?
The canonical SMILES for 1H-imidazol-2-yl(pyridin-3-yl)methanone is O=C(c1cccnc1)c1ncc[nH]1.
What is the InChIKey of 1H-imidazol-2-yl(pyridin-3-yl)methanone?
The InChIKey is PBBSMRSSNMUEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c13-8(9-11-4-5-12-9)7-2-1-3-10-6-7/h1-6H,(H,11,12).
What are the key properties of 1H-imidazol-2-yl(pyridin-3-yl)methanone?
1H-imidazol-2-yl(pyridin-3-yl)methanone has a molecular weight of 173.18 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl(pyridin-3-yl)methanone is sourced from PubChem (CID 7147291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).