6-bromo-2-(1-chloroethyl)-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine

C14H17BrClN3 — CID 114548514

IUPAC6-bromo-2-(1-chloroethyl)-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine
SMILESCC1CCC(n2c(C(C)Cl)nc3cc(Br)cnc32)C1
InChIInChI=1S/C14H17BrClN3/c1-8-3-4-11(5-8)19-13(9(2)16)18-12-6-10(15)7-17-14(12)19/h6-9,11H,3-5H2,1-2H3
InChIKeyGUYGMBFDUQNXEY-UHFFFAOYSA-N
MW342.67 g/mol
LogP4.85
Rot. Bonds2

About 6-bromo-2-(1-chloroethyl)-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine

6-bromo-2-(1-chloroethyl)-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine (PubChem CID 114548514) has the molecular formula C14H17BrClN3 and a molecular weight of 342.67 g/mol. Its IUPAC name is 6-bromo-2-(1-chloroethyl)-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(1-chloroethyl)-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine
PubChem CID114548514
Molecular FormulaC14H17BrClN3
Molecular Weight342.67 g/mol
Exact Mass341.03
IUPAC Name6-bromo-2-(1-chloroethyl)-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine
SMILESCC1CCC(n2c(C(C)Cl)nc3cc(Br)cnc32)C1
InChIInChI=1S/C14H17BrClN3/c1-8-3-4-11(5-8)19-13(9(2)16)18-12-6-10(15)7-17-14(12)19/h6-9,11H,3-5H2,1-2H3
InChIKeyGUYGMBFDUQNXEY-UHFFFAOYSA-N
XLogP4.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 54.85
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

6-bromo-2-(1-chloroethyl)-3-cycloheptylimidazo[4,5-b]pyridine
CID 79302816
3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide
CID 79302589
6-bromo-2-(1-chloroethyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 80713098
6-bromo-2-(2-chloroethyl)-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 114548562
6-bromo-2-(1-chloroethyl)-3-(2-ethylcyclopropyl)imidazo[4,5-b]pyridine
CID 114109176
6-bromo-2-(1-chloroethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 79280245
3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpyrrolidin-2-one
CID 106259196
3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione
CID 79279739
6-bromo-2-(chloromethyl)-3-(4-methylcyclohexyl)imidazo[4,5-b]pyridine
CID 79301958
4-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79278162
6-bromo-2-(chloromethyl)-3-(3,4-dimethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79301852
2-(1-chloroethyl)-3-(3,5-dimethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79294182

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-chloroethyl)-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(1-chloroethyl)-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine (CID 114548514) is 6-bromo-2-(1-chloroethyl)-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(1-chloroethyl)-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(1-chloroethyl)-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine is CC1CCC(n2c(C(C)Cl)nc3cc(Br)cnc32)C1.
What is the InChIKey of 6-bromo-2-(1-chloroethyl)-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine?
The InChIKey is GUYGMBFDUQNXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3/c1-8-3-4-11(5-8)19-13(9(2)16)18-12-6-10(15)7-17-14(12)19/h6-9,11H,3-5H2,1-2H3.
What are the key properties of 6-bromo-2-(1-chloroethyl)-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine?
6-bromo-2-(1-chloroethyl)-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine has a molecular weight of 342.67 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-chloroethyl)-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 114548514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).