3-(chloromethyl)-6-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridine

C14H12ClN3 — CID 39133014

IUPAC3-(chloromethyl)-6-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridine
SMILESCc1ccc2nc(-c3ccncc3)c(CCl)n2c1
InChIInChI=1S/C14H12ClN3/c1-10-2-3-13-17-14(11-4-6-16-7-5-11)12(8-15)18(13)9-10/h2-7,9H,8H2,1H3
InChIKeyMOBKUWMSTOAGQX-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.44
Rot. Bonds2

About 3-(chloromethyl)-6-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridine

3-(chloromethyl)-6-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridine (PubChem CID 39133014) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-(chloromethyl)-6-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-6-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridine
PubChem CID39133014
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name3-(chloromethyl)-6-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridine
SMILESCc1ccc2nc(-c3ccncc3)c(CCl)n2c1
InChIInChI=1S/C14H12ClN3/c1-10-2-3-13-17-14(11-4-6-16-7-5-11)12(8-15)18(13)9-10/h2-7,9H,8H2,1H3
InChIKeyMOBKUWMSTOAGQX-UHFFFAOYSA-N
XLogP3.44
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride
CID 162000002
3-(chloromethyl)-2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridine;hydrochloride
CID 67028789
N-methyl-1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 70326815
3-(chloromethyl)-2,6-dimethylimidazo[1,2-a]pyridine;hydrochloride
CID 82530392
3-(imidazol-1-ylmethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 58337071
3-butyl-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 143046958
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150
ethane;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 143742261
2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride
CID 74889750
N-cyclohexyl-6-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 1071670
6-methyl-2-(4-methylphenyl)-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine
CID 67027547
6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride
CID 67028658

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridine?
The IUPAC name of 3-(chloromethyl)-6-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridine (CID 39133014) is 3-(chloromethyl)-6-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(chloromethyl)-6-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-(chloromethyl)-6-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridine is Cc1ccc2nc(-c3ccncc3)c(CCl)n2c1.
What is the InChIKey of 3-(chloromethyl)-6-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridine?
The InChIKey is MOBKUWMSTOAGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-10-2-3-13-17-14(11-4-6-16-7-5-11)12(8-15)18(13)9-10/h2-7,9H,8H2,1H3.
What are the key properties of 3-(chloromethyl)-6-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridine?
3-(chloromethyl)-6-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridine has a molecular weight of 257.72 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 39133014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).