5-imidazol-1-yl-2-methoxypyridine

C9H9N3O — CID 11206075

IUPAC5-imidazol-1-yl-2-methoxypyridine
SMILESCOc1ccc(-n2ccnc2)cn1
InChIInChI=1S/C9H9N3O/c1-13-9-3-2-8(6-11-9)12-5-4-10-7-12/h2-7H,1H3
InChIKeyXVKDOSFMRFFMNA-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.28
Rot. Bonds2

About 5-imidazol-1-yl-2-methoxypyridine

5-imidazol-1-yl-2-methoxypyridine (PubChem CID 11206075) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-imidazol-1-yl-2-methoxypyridine.

Molecular Properties

Compound Name5-imidazol-1-yl-2-methoxypyridine
PubChem CID11206075
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name5-imidazol-1-yl-2-methoxypyridine
SMILESCOc1ccc(-n2ccnc2)cn1
InChIInChI=1S/C9H9N3O/c1-13-9-3-2-8(6-11-9)12-5-4-10-7-12/h2-7H,1H3
InChIKeyXVKDOSFMRFFMNA-UHFFFAOYSA-N
XLogP1.28
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-2-methoxypyridine?
The IUPAC name of 5-imidazol-1-yl-2-methoxypyridine (CID 11206075) is 5-imidazol-1-yl-2-methoxypyridine.
What is the SMILES notation for 5-imidazol-1-yl-2-methoxypyridine?
The canonical SMILES for 5-imidazol-1-yl-2-methoxypyridine is COc1ccc(-n2ccnc2)cn1.
What is the InChIKey of 5-imidazol-1-yl-2-methoxypyridine?
The InChIKey is XVKDOSFMRFFMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-13-9-3-2-8(6-11-9)12-5-4-10-7-12/h2-7H,1H3.
What are the key properties of 5-imidazol-1-yl-2-methoxypyridine?
5-imidazol-1-yl-2-methoxypyridine has a molecular weight of 175.19 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-2-methoxypyridine is sourced from PubChem (CID 11206075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).