8-bromo-2-[(2-chloro-6-methyl-4-pyridinyl)oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridine

C17H15BrClN3O — CID 165132150

IUPAC8-bromo-2-[(2-chloro-6-methyl-4-pyridinyl)oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridine
SMILESCc1cc(OCc2cn3cc(C4CC4)cc(Br)c3n2)cc(Cl)n1
InChIInChI=1S/C17H15BrClN3O/c1-10-4-14(6-16(19)20-10)23-9-13-8-22-7-12(11-2-3-11)5-15(18)17(22)21-13/h4-8,11H,2-3,9H2,1H3
InChIKeyAORLKWBGKNYAET-UHFFFAOYSA-N
MW392.68 g/mol
LogP4.91
Rot. Bonds4

About 8-bromo-2-[(2-chloro-6-methyl-4-pyridinyl)oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridine

8-bromo-2-[(2-chloro-6-methyl-4-pyridinyl)oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridine (PubChem CID 165132150) has the molecular formula C17H15BrClN3O and a molecular weight of 392.68 g/mol. Its IUPAC name is 8-bromo-2-[(2-chloro-6-methyl-4-pyridinyl)oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-bromo-2-[(2-chloro-6-methyl-4-pyridinyl)oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridine
PubChem CID165132150
Molecular FormulaC17H15BrClN3O
Molecular Weight392.68 g/mol
Exact Mass391.01
IUPAC Name8-bromo-2-[(2-chloro-6-methyl-4-pyridinyl)oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridine
SMILESCc1cc(OCc2cn3cc(C4CC4)cc(Br)c3n2)cc(Cl)n1
InChIInChI=1S/C17H15BrClN3O/c1-10-4-14(6-16(19)20-10)23-9-13-8-22-7-12(11-2-3-11)5-15(18)17(22)21-13/h4-8,11H,2-3,9H2,1H3
InChIKeyAORLKWBGKNYAET-UHFFFAOYSA-N
XLogP4.91
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.68
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-[(2-chloro-6-methyl-4-pyridinyl)oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridine?
The IUPAC name of 8-bromo-2-[(2-chloro-6-methyl-4-pyridinyl)oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridine (CID 165132150) is 8-bromo-2-[(2-chloro-6-methyl-4-pyridinyl)oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridine.
What is the SMILES notation for 8-bromo-2-[(2-chloro-6-methyl-4-pyridinyl)oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridine?
The canonical SMILES for 8-bromo-2-[(2-chloro-6-methyl-4-pyridinyl)oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridine is Cc1cc(OCc2cn3cc(C4CC4)cc(Br)c3n2)cc(Cl)n1.
What is the InChIKey of 8-bromo-2-[(2-chloro-6-methyl-4-pyridinyl)oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridine?
The InChIKey is AORLKWBGKNYAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN3O/c1-10-4-14(6-16(19)20-10)23-9-13-8-22-7-12(11-2-3-11)5-15(18)17(22)21-13/h4-8,11H,2-3,9H2,1H3.
What are the key properties of 8-bromo-2-[(2-chloro-6-methyl-4-pyridinyl)oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridine?
8-bromo-2-[(2-chloro-6-methyl-4-pyridinyl)oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridine has a molecular weight of 392.68 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-[(2-chloro-6-methyl-4-pyridinyl)oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridine is sourced from PubChem (CID 165132150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).