2-(chloromethyl)-3-(dicyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine

C15H18ClN3 — CID 79293736

IUPAC2-(chloromethyl)-3-(dicyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2C(C1CC1)C1CC1
InChIInChI=1S/C15H18ClN3/c1-9-6-7-17-15-13(9)18-12(8-16)19(15)14(10-2-3-10)11-4-5-11/h6-7,10-11,14H,2-5,8H2,1H3
InChIKeyOQNKYAPBGJJAER-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.84
Rot. Bonds4

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

2-(chloromethyl)-3-(dicyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine (PubChem CID 79293736) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(dicyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(dicyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine
PubChem CID79293736
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name2-(chloromethyl)-3-(dicyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2C(C1CC1)C1CC1
InChIInChI=1S/C15H18ClN3/c1-9-6-7-17-15-13(9)18-12(8-16)19(15)14(10-2-3-10)11-4-5-11/h6-7,10-11,14H,2-5,8H2,1H3
InChIKeyOQNKYAPBGJJAER-UHFFFAOYSA-N
XLogP3.84
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(dicyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(dicyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine (CID 79293736) is 2-(chloromethyl)-3-(dicyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(dicyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(dicyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine is Cc1ccnc2c1nc(CCl)n2C(C1CC1)C1CC1.
What is the InChIKey of 2-(chloromethyl)-3-(dicyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine?
The InChIKey is OQNKYAPBGJJAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-9-6-7-17-15-13(9)18-12(8-16)19(15)14(10-2-3-10)11-4-5-11/h6-7,10-11,14H,2-5,8H2,1H3.
What are the key properties of 2-(chloromethyl)-3-(dicyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(dicyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine has a molecular weight of 275.78 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(dicyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79293736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).