2-chloro-2-methyl-3H-imidazo[1,2-a]pyridine

C8H9ClN2 — CID 70363384

IUPAC2-chloro-2-methyl-3H-imidazo[1,2-a]pyridine
SMILESCC1(Cl)CN2C=CC=CC2=N1
InChIInChI=1S/C8H9ClN2/c1-8(9)6-11-5-3-2-4-7(11)10-8/h2-5H,6H2,1H3
InChIKeyPMIOUFRULJFOKU-UHFFFAOYSA-N
MW168.63 g/mol
LogP1.74
Rot. Bonds

About 2-chloro-2-methyl-3H-imidazo[1,2-a]pyridine

2-chloro-2-methyl-3H-imidazo[1,2-a]pyridine (PubChem CID 70363384) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 2-chloro-2-methyl-3H-imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-chloro-2-methyl-3H-imidazo[1,2-a]pyridine
PubChem CID70363384
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name2-chloro-2-methyl-3H-imidazo[1,2-a]pyridine
SMILESCC1(Cl)CN2C=CC=CC2=N1
InChIInChI=1S/C8H9ClN2/c1-8(9)6-11-5-3-2-4-7(11)10-8/h2-5H,6H2,1H3
InChIKeyPMIOUFRULJFOKU-UHFFFAOYSA-N
XLogP1.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-methyl-3H-imidazo[1,2-a]pyridine?
The IUPAC name of 2-chloro-2-methyl-3H-imidazo[1,2-a]pyridine (CID 70363384) is 2-chloro-2-methyl-3H-imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-chloro-2-methyl-3H-imidazo[1,2-a]pyridine?
The canonical SMILES for 2-chloro-2-methyl-3H-imidazo[1,2-a]pyridine is CC1(Cl)CN2C=CC=CC2=N1.
What is the InChIKey of 2-chloro-2-methyl-3H-imidazo[1,2-a]pyridine?
The InChIKey is PMIOUFRULJFOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c1-8(9)6-11-5-3-2-4-7(11)10-8/h2-5H,6H2,1H3.
What are the key properties of 2-chloro-2-methyl-3H-imidazo[1,2-a]pyridine?
2-chloro-2-methyl-3H-imidazo[1,2-a]pyridine has a molecular weight of 168.63 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-methyl-3H-imidazo[1,2-a]pyridine is sourced from PubChem (CID 70363384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).