6-bromo-3-[(1S)-1-chloroethyl]imidazo[1,2-a]pyridine

C9H8BrClN2 — CID 92939351

IUPAC6-bromo-3-[(1S)-1-chloroethyl]imidazo[1,2-a]pyridine
SMILESC[C@H](Cl)c1cnc2ccc(Br)cn12
InChIInChI=1S/C9H8BrClN2/c1-6(11)8-4-12-9-3-2-7(10)5-13(8)9/h2-6H,1H3/t6-/m0/s1
InChIKeyMECGRESMQCWPKJ-LURJTMIESA-N
MW259.53 g/mol
LogP3.40
Rot. Bonds1

About 6-bromo-3-[(1S)-1-chloroethyl]imidazo[1,2-a]pyridine

6-bromo-3-[(1S)-1-chloroethyl]imidazo[1,2-a]pyridine (PubChem CID 92939351) has the molecular formula C9H8BrClN2 and a molecular weight of 259.53 g/mol. Its IUPAC name is 6-bromo-3-[(1S)-1-chloroethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-[(1S)-1-chloroethyl]imidazo[1,2-a]pyridine
PubChem CID92939351
Molecular FormulaC9H8BrClN2
Molecular Weight259.53 g/mol
Exact Mass257.96
IUPAC Name6-bromo-3-[(1S)-1-chloroethyl]imidazo[1,2-a]pyridine
SMILESC[C@H](Cl)c1cnc2ccc(Br)cn12
InChIInChI=1S/C9H8BrClN2/c1-6(11)8-4-12-9-3-2-7(10)5-13(8)9/h2-6H,1H3/t6-/m0/s1
InChIKeyMECGRESMQCWPKJ-LURJTMIESA-N
XLogP3.40
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.53
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[(1R)-1-chloroethyl]-6-methylimidazo[1,2-a]pyridine
CID 39146618
(6-bromoimidazo[1,2-a]pyridin-3-yl)-phenylmethanol
CID 129053974
6-bromo-3-(1-phenylethyl)imidazo[1,2-a]pyridine;5-bromopyridin-2-amine
CID 159230894
N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]propan-2-amine
CID 115651289
7-bromo-3-chloropyrido[1,2-a]pyrimidin-4-one
CID 84709899
3,6-di(propan-2-yl)imidazo[1,2-a]pyridine
CID 71042080
6-bromo-3-ethenylimidazo[1,2-a]pyridine
CID 177367415
N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylpropan-2-amine
CID 115651962
3-amino-7-bromopyrido[1,2-a]pyrimidin-4-one
CID 83898748
6-bromo-3-[(1R)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 130277420
2-(6-bromoimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 76849622
6-bromoimidazo[1,2-a]pyridine-3-sulfinate
CID 121342948

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(1S)-1-chloroethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-3-[(1S)-1-chloroethyl]imidazo[1,2-a]pyridine (CID 92939351) is 6-bromo-3-[(1S)-1-chloroethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-3-[(1S)-1-chloroethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-3-[(1S)-1-chloroethyl]imidazo[1,2-a]pyridine is C[C@H](Cl)c1cnc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-3-[(1S)-1-chloroethyl]imidazo[1,2-a]pyridine?
The InChIKey is MECGRESMQCWPKJ-LURJTMIESA-N. The full InChI is InChI=1S/C9H8BrClN2/c1-6(11)8-4-12-9-3-2-7(10)5-13(8)9/h2-6H,1H3/t6-/m0/s1.
What are the key properties of 6-bromo-3-[(1S)-1-chloroethyl]imidazo[1,2-a]pyridine?
6-bromo-3-[(1S)-1-chloroethyl]imidazo[1,2-a]pyridine has a molecular weight of 259.53 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(1S)-1-chloroethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 92939351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).