4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]morpholine

C12H15ClN4O — CID 83018013

IUPAC4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]morpholine
SMILESCC(Cl)c1nc2cccnc2n1N1CCOCC1
InChIInChI=1S/C12H15ClN4O/c1-9(13)11-15-10-3-2-4-14-12(10)17(11)16-5-7-18-8-6-16/h2-4,9H,5-8H2,1H3
InChIKeyULZOMVWXTGXRGY-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.70
Rot. Bonds2

About 4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]morpholine

4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]morpholine (PubChem CID 83018013) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]morpholine
PubChem CID83018013
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]morpholine
SMILESCC(Cl)c1nc2cccnc2n1N1CCOCC1
InChIInChI=1S/C12H15ClN4O/c1-9(13)11-15-10-3-2-4-14-12(10)17(11)16-5-7-18-8-6-16/h2-4,9H,5-8H2,1H3
InChIKeyULZOMVWXTGXRGY-UHFFFAOYSA-N
XLogP1.70
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloroethyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 79295118
2-(1-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 79294964
2-(1-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79294590
2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine
CID 79290021
2-(1-chloroethyl)-3-(2,2-dimethyloxan-4-yl)imidazo[4,5-b]pyridine
CID 83028898
2-(1-chloroethyl)-5-methyl-3-piperidin-1-ylimidazo[4,5-b]pyridine
CID 83017886
2-(1-chloroethyl)-3-(3,5-dimethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79294182
2-(1-chloroethyl)-1-piperidin-1-ylbenzimidazole
CID 83018305
2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine
CID 79295037
4-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]morpholine
CID 79294803
2-(1-chloroethyl)-3-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79294750
2-(1-chloroethyl)-3-[1-(3-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79274686

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]morpholine?
The IUPAC name of 4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]morpholine (CID 83018013) is 4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]morpholine.
What is the SMILES notation for 4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]morpholine?
The canonical SMILES for 4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]morpholine is CC(Cl)c1nc2cccnc2n1N1CCOCC1.
What is the InChIKey of 4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]morpholine?
The InChIKey is ULZOMVWXTGXRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-9(13)11-15-10-3-2-4-14-12(10)17(11)16-5-7-18-8-6-16/h2-4,9H,5-8H2,1H3.
What are the key properties of 4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]morpholine?
4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]morpholine has a molecular weight of 266.73 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]morpholine is sourced from PubChem (CID 83018013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).