2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine

C14H20ClN3 — CID 79294516

IUPAC2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine
SMILESCCC(C)C(C)n1c(CCCl)nc2cccnc21
InChIInChI=1S/C14H20ClN3/c1-4-10(2)11(3)18-13(7-8-15)17-12-6-5-9-16-14(12)18/h5-6,9-11H,4,7-8H2,1-3H3
InChIKeyJICQOVZNCXRCQU-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.82
Rot. Bonds5

About 2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine

2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 79294516) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine
PubChem CID79294516
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine
SMILESCCC(C)C(C)n1c(CCCl)nc2cccnc21
InChIInChI=1S/C14H20ClN3/c1-4-10(2)11(3)18-13(7-8-15)17-12-6-5-9-16-14(12)18/h5-6,9-11H,4,7-8H2,1-3H3
InChIKeyJICQOVZNCXRCQU-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
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-(2-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79294520
2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethylpropanamide
CID 79295243
2-(2-chloroethyl)-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79273103
2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylpropanamide
CID 103112358
3-[1-(3-bromophenyl)ethyl]-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 79273400
5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 63545579
2-(2-chloroethyl)-1-(3-ethylpentan-2-yl)benzimidazole
CID 63838567
2-(2-chloroethyl)-3-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79295045
2-(2-chloroethyl)-1-pentan-3-ylimidazo[4,5-c]quinoline
CID 103964609
2-(chloromethyl)-3-hexan-2-ylimidazo[4,5-b]pyridine
CID 79294961
2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]butan-1-amine
CID 81073284
3-pentan-3-ylimidazo[4,5-b]pyridin-2-amine
CID 79290142

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine (CID 79294516) is 2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine is CCC(C)C(C)n1c(CCCl)nc2cccnc21.
What is the InChIKey of 2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is JICQOVZNCXRCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-4-10(2)11(3)18-13(7-8-15)17-12-6-5-9-16-14(12)18/h5-6,9-11H,4,7-8H2,1-3H3.
What are the key properties of 2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 265.79 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79294516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).