2-(1-chloroethyl)-3-hexan-3-ylimidazo[4,5-b]pyridine

C14H20ClN3 — CID 79294169

IUPAC2-(1-chloroethyl)-3-hexan-3-ylimidazo[4,5-b]pyridine
SMILESCCCC(CC)n1c(C(C)Cl)nc2cccnc21
InChIInChI=1S/C14H20ClN3/c1-4-7-11(5-2)18-13(10(3)15)17-12-8-6-9-16-14(12)18/h6,8-11H,4-5,7H2,1-3H3
InChIKeyMMUZPIKYRXKOOZ-UHFFFAOYSA-N
MW265.79 g/mol
LogP4.48
Rot. Bonds5

About 2-(1-chloroethyl)-3-hexan-3-ylimidazo[4,5-b]pyridine

2-(1-chloroethyl)-3-hexan-3-ylimidazo[4,5-b]pyridine (PubChem CID 79294169) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 2-(1-chloroethyl)-3-hexan-3-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-3-hexan-3-ylimidazo[4,5-b]pyridine
PubChem CID79294169
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name2-(1-chloroethyl)-3-hexan-3-ylimidazo[4,5-b]pyridine
SMILESCCCC(CC)n1c(C(C)Cl)nc2cccnc21
InChIInChI=1S/C14H20ClN3/c1-4-7-11(5-2)18-13(10(3)15)17-12-8-6-9-16-14(12)18/h6,8-11H,4-5,7H2,1-3H3
InChIKeyMMUZPIKYRXKOOZ-UHFFFAOYSA-N
XLogP4.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 54.48
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-(1-chloroethyl)-3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridine
CID 79294324
2-(1-chloroethyl)-3-(1-phenylpropyl)imidazo[4,5-b]pyridine
CID 79273265
2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine
CID 79295037
2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
CID 79294510
3-pentan-3-ylimidazo[4,5-b]pyridin-2-amine
CID 79290142
2-(1-chloroethyl)-1-hexan-3-yl-5-methylbenzimidazole
CID 55221405
2-(1-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79294590
2-(1-chloroethyl)-3-[4-(furan-2-yl)butan-2-yl]imidazo[4,5-b]pyridine
CID 79273878
2-(1-chloroethyl)-3-[1-(3-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79274686
2-(1-chloroethyl)-3-(4-propylphenyl)imidazo[4,5-b]pyridine
CID 79274024
2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine
CID 79290021
6-bromo-2-(1-chloroethyl)-3-pentan-3-ylimidazo[4,5-b]pyridine
CID 79302304

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-3-hexan-3-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-3-hexan-3-ylimidazo[4,5-b]pyridine (CID 79294169) is 2-(1-chloroethyl)-3-hexan-3-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-3-hexan-3-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-3-hexan-3-ylimidazo[4,5-b]pyridine is CCCC(CC)n1c(C(C)Cl)nc2cccnc21.
What is the InChIKey of 2-(1-chloroethyl)-3-hexan-3-ylimidazo[4,5-b]pyridine?
The InChIKey is MMUZPIKYRXKOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-4-7-11(5-2)18-13(10(3)15)17-12-8-6-9-16-14(12)18/h6,8-11H,4-5,7H2,1-3H3.
What are the key properties of 2-(1-chloroethyl)-3-hexan-3-ylimidazo[4,5-b]pyridine?
2-(1-chloroethyl)-3-hexan-3-ylimidazo[4,5-b]pyridine has a molecular weight of 265.79 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-3-hexan-3-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79294169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).