2-(1-chloroethyl)-3-(2-methoxyethyl)-7-methylimidazo[4,5-b]pyridine

C12H16ClN3O — CID 79293719

IUPAC2-(1-chloroethyl)-3-(2-methoxyethyl)-7-methylimidazo[4,5-b]pyridine
SMILESCOCCn1c(C(C)Cl)nc2c(C)ccnc21
InChIInChI=1S/C12H16ClN3O/c1-8-4-5-14-12-10(8)15-11(9(2)13)16(12)6-7-17-3/h4-5,9H,6-7H2,1-3H3
InChIKeyJRNZWAAYRDRSPM-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.69
Rot. Bonds4

About 2-(1-chloroethyl)-3-(2-methoxyethyl)-7-methylimidazo[4,5-b]pyridine

2-(1-chloroethyl)-3-(2-methoxyethyl)-7-methylimidazo[4,5-b]pyridine (PubChem CID 79293719) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(1-chloroethyl)-3-(2-methoxyethyl)-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-3-(2-methoxyethyl)-7-methylimidazo[4,5-b]pyridine
PubChem CID79293719
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name2-(1-chloroethyl)-3-(2-methoxyethyl)-7-methylimidazo[4,5-b]pyridine
SMILESCOCCn1c(C(C)Cl)nc2c(C)ccnc21
InChIInChI=1S/C12H16ClN3O/c1-8-4-5-14-12-10(8)15-11(9(2)13)16(12)6-7-17-3/h4-5,9H,6-7H2,1-3H3
InChIKeyJRNZWAAYRDRSPM-UHFFFAOYSA-N
XLogP2.69
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloroethyl)-3-(2-methoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine
CID 104763448
2-(1-chloroethyl)-7-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine
CID 79275874
4-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]morpholine
CID 79276323
N-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylbutan-2-amine
CID 106004828
5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420358
5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole
CID 106407149
3-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole
CID 106407354
2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]acetamide
CID 79293274
2-(1-chloroethyl)-7-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 79277491
2-(1-chloroethyl)-3-(cyclohexylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79294089
2-(1-chloroethyl)-7-methyl-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 79293889
2-(1-chloroethyl)-7-methyl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 107297298

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-3-(2-methoxyethyl)-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-3-(2-methoxyethyl)-7-methylimidazo[4,5-b]pyridine (CID 79293719) is 2-(1-chloroethyl)-3-(2-methoxyethyl)-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-3-(2-methoxyethyl)-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-3-(2-methoxyethyl)-7-methylimidazo[4,5-b]pyridine is COCCn1c(C(C)Cl)nc2c(C)ccnc21.
What is the InChIKey of 2-(1-chloroethyl)-3-(2-methoxyethyl)-7-methylimidazo[4,5-b]pyridine?
The InChIKey is JRNZWAAYRDRSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-8-4-5-14-12-10(8)15-11(9(2)13)16(12)6-7-17-3/h4-5,9H,6-7H2,1-3H3.
What are the key properties of 2-(1-chloroethyl)-3-(2-methoxyethyl)-7-methylimidazo[4,5-b]pyridine?
2-(1-chloroethyl)-3-(2-methoxyethyl)-7-methylimidazo[4,5-b]pyridine has a molecular weight of 253.73 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-3-(2-methoxyethyl)-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79293719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).