3-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine

C16H20ClN3 — CID 79276099

IUPAC3-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2CC1CC2CCC1C2
InChIInChI=1S/C16H20ClN3/c1-10-4-5-18-16-15(10)19-14(8-17)20(16)9-13-7-11-2-3-12(13)6-11/h4-5,11-13H,2-3,6-9H2,1H3
InChIKeyHBKJIZSWZYQQTJ-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.91
Rot. Bonds3

About 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine

3-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine (PubChem CID 79276099) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
PubChem CID79276099
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2CC1CC2CCC1C2
InChIInChI=1S/C16H20ClN3/c1-10-4-5-18-16-15(10)19-14(8-17)20(16)9-13-7-11-2-3-12(13)6-11/h4-5,11-13H,2-3,6-9H2,1H3
InChIKeyHBKJIZSWZYQQTJ-UHFFFAOYSA-N
XLogP3.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.91
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

2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293421
2-(chloromethyl)-7-methyl-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79293199
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 104838143
2-(chloromethyl)-3-(2-cyclopropylpropyl)-7-methylimidazo[4,5-b]pyridine
CID 113475694
2-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine
CID 79293205
2-(chloromethyl)-3-(dicyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293736
2-(chloromethyl)-7-methyl-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 79293455
2-(chloromethyl)-3-(2-cyclopropylpropan-2-yl)-7-methylimidazo[4,5-b]pyridine
CID 114111868
2-(chloromethyl)-7-methyl-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridine
CID 114101235
2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
CID 79293507
2-(chloromethyl)-3-(2-ethoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine
CID 114943375
3-(1-azabicyclo[2.2.2]octan-3-yl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276321

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine (CID 79276099) is 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine is Cc1ccnc2c1nc(CCl)n2CC1CC2CCC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine?
The InChIKey is HBKJIZSWZYQQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-10-4-5-18-16-15(10)19-14(8-17)20(16)9-13-7-11-2-3-12(13)6-11/h4-5,11-13H,2-3,6-9H2,1H3.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine?
3-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine has a molecular weight of 289.81 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79276099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).