4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)pyridine

C8H8ClN3 — CID 59134959

IUPAC4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)pyridine
SMILESClc1ccnc(C2=NCCN2)c1
InChIInChI=1S/C8H8ClN3/c9-6-1-2-10-7(5-6)8-11-3-4-12-8/h1-2,5H,3-4H2,(H,11,12)
InChIKeyLRTWKRYBIRFBJS-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.08
Rot. Bonds1

About 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)pyridine

4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)pyridine (PubChem CID 59134959) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)pyridine.

Molecular Properties

Compound Name4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)pyridine
PubChem CID59134959
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)pyridine
SMILESClc1ccnc(C2=NCCN2)c1
InChIInChI=1S/C8H8ClN3/c9-6-1-2-10-7(5-6)8-11-3-4-12-8/h1-2,5H,3-4H2,(H,11,12)
InChIKeyLRTWKRYBIRFBJS-UHFFFAOYSA-N
XLogP1.08
TPSA37.28 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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)pyridine?
The IUPAC name of 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)pyridine (CID 59134959) is 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)pyridine.
What is the SMILES notation for 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)pyridine?
The canonical SMILES for 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)pyridine is Clc1ccnc(C2=NCCN2)c1.
What is the InChIKey of 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)pyridine?
The InChIKey is LRTWKRYBIRFBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c9-6-1-2-10-7(5-6)8-11-3-4-12-8/h1-2,5H,3-4H2,(H,11,12).
What are the key properties of 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)pyridine?
4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)pyridine has a molecular weight of 181.63 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)pyridine is sourced from PubChem (CID 59134959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).