6-bromo-2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]imidazo[4,5-b]pyridine

C14H17BrClN3O2 — CID 104763579

IUPAC6-bromo-2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]imidazo[4,5-b]pyridine
SMILESCOC1(Cn2c(CCCl)nc3cc(Br)cnc32)CCOC1
InChIInChI=1S/C14H17BrClN3O2/c1-20-14(3-5-21-9-14)8-19-12(2-4-16)18-11-6-10(15)7-17-13(11)19/h6-7H,2-5,8-9H2,1H3
InChIKeyQLFYBMLPYCQOGJ-UHFFFAOYSA-N
MW374.67 g/mol
LogP2.78
Rot. Bonds5

About 6-bromo-2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]imidazo[4,5-b]pyridine

6-bromo-2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 104763579) has the molecular formula C14H17BrClN3O2 and a molecular weight of 374.67 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID104763579
Molecular FormulaC14H17BrClN3O2
Molecular Weight374.67 g/mol
Exact Mass373.02
IUPAC Name6-bromo-2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]imidazo[4,5-b]pyridine
SMILESCOC1(Cn2c(CCCl)nc3cc(Br)cnc32)CCOC1
InChIInChI=1S/C14H17BrClN3O2/c1-20-14(3-5-21-9-14)8-19-12(2-4-16)18-11-6-10(15)7-17-13(11)19/h6-7H,2-5,8-9H2,1H3
InChIKeyQLFYBMLPYCQOGJ-UHFFFAOYSA-N
XLogP2.78
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.67
LogP ≤ 52.78
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-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]-6-methylimidazo[4,5-b]pyridine
CID 104763586
6-bromo-2-(2-chloroethyl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 79302094
6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine
CID 102906922
6-bromo-2-(chloromethyl)-3-[(1-ethylcyclopropyl)methyl]imidazo[4,5-b]pyridine
CID 114101198
N-[2-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine
CID 79302404
6-bromo-2-(2-chloroethyl)-3-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79302336
6-bromo-2-(2-chloroethyl)-3-(3-ethoxypropyl)imidazo[4,5-b]pyridine
CID 79302095
6-bromo-2-(2-chloroethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine
CID 103008938
6-bromo-2-(2-chloroethyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 79302179
5-[[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3-methyl-1,2-oxazole
CID 79302970
ethyl 2-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]acetate
CID 79302535
6-bromo-2-(2-chloroethyl)-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine
CID 79363129

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]imidazo[4,5-b]pyridine (CID 104763579) is 6-bromo-2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]imidazo[4,5-b]pyridine is COC1(Cn2c(CCCl)nc3cc(Br)cnc32)CCOC1.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is QLFYBMLPYCQOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3O2/c1-20-14(3-5-21-9-14)8-19-12(2-4-16)18-11-6-10(15)7-17-13(11)19/h6-7H,2-5,8-9H2,1H3.
What are the key properties of 6-bromo-2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]imidazo[4,5-b]pyridine?
6-bromo-2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 374.67 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 104763579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).