3-(imidazol-1-ylmethyl)pyridine

C9H9N3 — CID 16654684

IUPAC3-(imidazol-1-ylmethyl)pyridine
SMILESc1cncc(Cn2ccnc2)c1
InChIInChI=1S/C9H9N3/c1-2-9(6-10-3-1)7-12-5-4-11-8-12/h1-6,8H,7H2
InChIKeyIRLWEKCRDMFHQW-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.33
Rot. Bonds2

About 3-(imidazol-1-ylmethyl)pyridine

3-(imidazol-1-ylmethyl)pyridine (PubChem CID 16654684) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)pyridine
PubChem CID16654684
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name3-(imidazol-1-ylmethyl)pyridine
SMILESc1cncc(Cn2ccnc2)c1
InChIInChI=1S/C9H9N3/c1-2-9(6-10-3-1)7-12-5-4-11-8-12/h1-6,8H,7H2
InChIKeyIRLWEKCRDMFHQW-UHFFFAOYSA-N
XLogP1.33
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)pyridine?
The IUPAC name of 3-(imidazol-1-ylmethyl)pyridine (CID 16654684) is 3-(imidazol-1-ylmethyl)pyridine.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)pyridine?
The canonical SMILES for 3-(imidazol-1-ylmethyl)pyridine is c1cncc(Cn2ccnc2)c1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)pyridine?
The InChIKey is IRLWEKCRDMFHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-2-9(6-10-3-1)7-12-5-4-11-8-12/h1-6,8H,7H2.
What are the key properties of 3-(imidazol-1-ylmethyl)pyridine?
3-(imidazol-1-ylmethyl)pyridine has a molecular weight of 159.19 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)pyridine is sourced from PubChem (CID 16654684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).