2-(4-chloro-1,2-dihydroimidazol-3-yl)pyridine

C8H8ClN3 — CID 71773258

IUPAC2-(4-chloro-1,2-dihydroimidazol-3-yl)pyridine
SMILESClC1=CNCN1c1ccccn1
InChIInChI=1S/C8H8ClN3/c9-7-5-10-6-12(7)8-3-1-2-4-11-8/h1-5,10H,6H2
InChIKeyPMBMEUFCIOHOHE-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.49
Rot. Bonds1

About 2-(4-chloro-1,2-dihydroimidazol-3-yl)pyridine

2-(4-chloro-1,2-dihydroimidazol-3-yl)pyridine (PubChem CID 71773258) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 2-(4-chloro-1,2-dihydroimidazol-3-yl)pyridine.

Molecular Properties

Compound Name2-(4-chloro-1,2-dihydroimidazol-3-yl)pyridine
PubChem CID71773258
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name2-(4-chloro-1,2-dihydroimidazol-3-yl)pyridine
SMILESClC1=CNCN1c1ccccn1
InChIInChI=1S/C8H8ClN3/c9-7-5-10-6-12(7)8-3-1-2-4-11-8/h1-5,10H,6H2
InChIKeyPMBMEUFCIOHOHE-UHFFFAOYSA-N
XLogP1.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,2-dihydroimidazol-3-yl)pyridine?
The IUPAC name of 2-(4-chloro-1,2-dihydroimidazol-3-yl)pyridine (CID 71773258) is 2-(4-chloro-1,2-dihydroimidazol-3-yl)pyridine.
What is the SMILES notation for 2-(4-chloro-1,2-dihydroimidazol-3-yl)pyridine?
The canonical SMILES for 2-(4-chloro-1,2-dihydroimidazol-3-yl)pyridine is ClC1=CNCN1c1ccccn1.
What is the InChIKey of 2-(4-chloro-1,2-dihydroimidazol-3-yl)pyridine?
The InChIKey is PMBMEUFCIOHOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c9-7-5-10-6-12(7)8-3-1-2-4-11-8/h1-5,10H,6H2.
What are the key properties of 2-(4-chloro-1,2-dihydroimidazol-3-yl)pyridine?
2-(4-chloro-1,2-dihydroimidazol-3-yl)pyridine has a molecular weight of 181.63 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,2-dihydroimidazol-3-yl)pyridine is sourced from PubChem (CID 71773258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).