6-bromo-3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine

C14H12BrN3O2 — CID 46913420

IUPAC6-bromo-3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine
SMILESCOc1cc(-c2cnc3ccc(Br)cn23)cnc1OC
InChIInChI=1S/C14H12BrN3O2/c1-19-12-5-9(6-17-14(12)20-2)11-7-16-13-4-3-10(15)8-18(11)13/h3-8H,1-2H3
InChIKeyJFAUJCNPBZQRCB-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.18
Rot. Bonds3

About 6-bromo-3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine

6-bromo-3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine (PubChem CID 46913420) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 6-bromo-3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine
PubChem CID46913420
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name6-bromo-3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine
SMILESCOc1cc(-c2cnc3ccc(Br)cn23)cnc1OC
InChIInChI=1S/C14H12BrN3O2/c1-19-12-5-9(6-17-14(12)20-2)11-7-16-13-4-3-10(15)8-18(11)13/h3-8H,1-2H3
InChIKeyJFAUJCNPBZQRCB-UHFFFAOYSA-N
XLogP3.18
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine (CID 46913420) is 6-bromo-3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine is COc1cc(-c2cnc3ccc(Br)cn23)cnc1OC.
What is the InChIKey of 6-bromo-3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine?
The InChIKey is JFAUJCNPBZQRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c1-19-12-5-9(6-17-14(12)20-2)11-7-16-13-4-3-10(15)8-18(11)13/h3-8H,1-2H3.
What are the key properties of 6-bromo-3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine?
6-bromo-3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine has a molecular weight of 334.17 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 46913420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).