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

C12H15BrClN3 — CID 79302094

IUPAC6-bromo-2-(2-chloroethyl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine
SMILESCC(C)Cn1c(CCCl)nc2cc(Br)cnc21
InChIInChI=1S/C12H15BrClN3/c1-8(2)7-17-11(3-4-14)16-10-5-9(13)6-15-12(10)17/h5-6,8H,3-4,7H2,1-2H3
InChIKeyWYCBMKYRFZRIII-UHFFFAOYSA-N
MW316.63 g/mol
LogP3.63
Rot. Bonds4

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

6-bromo-2-(2-chloroethyl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine (PubChem CID 79302094) has the molecular formula C12H15BrClN3 and a molecular weight of 316.63 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine
PubChem CID79302094
Molecular FormulaC12H15BrClN3
Molecular Weight316.63 g/mol
Exact Mass315.01
IUPAC Name6-bromo-2-(2-chloroethyl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine
SMILESCC(C)Cn1c(CCCl)nc2cc(Br)cnc21
InChIInChI=1S/C12H15BrClN3/c1-8(2)7-17-11(3-4-14)16-10-5-9(13)6-15-12(10)17/h5-6,8H,3-4,7H2,1-2H3
InChIKeyWYCBMKYRFZRIII-UHFFFAOYSA-N
XLogP3.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.63
LogP ≤ 53.63
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-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine
CID 102906922
N-[2-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine
CID 79302404
6-bromo-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 79306856
3-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine
CID 79280592
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
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
6-bromo-2-(2-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine
CID 79302391
6-bromo-2-(2-chloroethyl)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridine
CID 106303086

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloroethyl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine (CID 79302094) is 6-bromo-2-(2-chloroethyl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine is CC(C)Cn1c(CCCl)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine?
The InChIKey is WYCBMKYRFZRIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN3/c1-8(2)7-17-11(3-4-14)16-10-5-9(13)6-15-12(10)17/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 6-bromo-2-(2-chloroethyl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine?
6-bromo-2-(2-chloroethyl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine has a molecular weight of 316.63 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloroethyl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79302094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).