2-(2-chloroethyl)-3-(1-methoxy-2-methylpropan-2-yl)-6-methylimidazo[4,5-b]pyridine

C14H20ClN3O — CID 113470630

IUPAC2-(2-chloroethyl)-3-(1-methoxy-2-methylpropan-2-yl)-6-methylimidazo[4,5-b]pyridine
SMILESCOCC(C)(C)n1c(CCCl)nc2cc(C)cnc21
InChIInChI=1S/C14H20ClN3O/c1-10-7-11-13(16-8-10)18(12(17-11)5-6-15)14(2,3)9-19-4/h7-8H,5-6,9H2,1-4H3
InChIKeyVABZYNCMAYSVMC-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.90
Rot. Bonds5

About 2-(2-chloroethyl)-3-(1-methoxy-2-methylpropan-2-yl)-6-methylimidazo[4,5-b]pyridine

2-(2-chloroethyl)-3-(1-methoxy-2-methylpropan-2-yl)-6-methylimidazo[4,5-b]pyridine (PubChem CID 113470630) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(1-methoxy-2-methylpropan-2-yl)-6-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(1-methoxy-2-methylpropan-2-yl)-6-methylimidazo[4,5-b]pyridine
PubChem CID113470630
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-(2-chloroethyl)-3-(1-methoxy-2-methylpropan-2-yl)-6-methylimidazo[4,5-b]pyridine
SMILESCOCC(C)(C)n1c(CCCl)nc2cc(C)cnc21
InChIInChI=1S/C14H20ClN3O/c1-10-7-11-13(16-8-10)18(12(17-11)5-6-15)14(2,3)9-19-4/h7-8H,5-6,9H2,1-4H3
InChIKeyVABZYNCMAYSVMC-UHFFFAOYSA-N
XLogP2.90
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-chloroethyl)-3-(1-methoxy-2-methylpropan-2-yl)-6-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(1-methoxy-2-methylpropan-2-yl)-6-methylimidazo[4,5-b]pyridine (CID 113470630) is 2-(2-chloroethyl)-3-(1-methoxy-2-methylpropan-2-yl)-6-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(1-methoxy-2-methylpropan-2-yl)-6-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(1-methoxy-2-methylpropan-2-yl)-6-methylimidazo[4,5-b]pyridine is COCC(C)(C)n1c(CCCl)nc2cc(C)cnc21.
What is the InChIKey of 2-(2-chloroethyl)-3-(1-methoxy-2-methylpropan-2-yl)-6-methylimidazo[4,5-b]pyridine?
The InChIKey is VABZYNCMAYSVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-10-7-11-13(16-8-10)18(12(17-11)5-6-15)14(2,3)9-19-4/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 2-(2-chloroethyl)-3-(1-methoxy-2-methylpropan-2-yl)-6-methylimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(1-methoxy-2-methylpropan-2-yl)-6-methylimidazo[4,5-b]pyridine has a molecular weight of 281.79 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-(1-methoxy-2-methylpropan-2-yl)-6-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 113470630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).