(6-bromo-7-methoxyimidazo[1,2-a]pyridin-3-yl)methanol

C9H9BrN2O2 — CID 169098659

IUPAC(6-bromo-7-methoxyimidazo[1,2-a]pyridin-3-yl)methanol
SMILESCOc1cc2ncc(CO)n2cc1Br
InChIInChI=1S/C9H9BrN2O2/c1-14-8-2-9-11-3-6(5-13)12(9)4-7(8)10/h2-4,13H,5H2,1H3
InChIKeyVDDUAHITNPDPCN-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.60
Rot. Bonds2

About (6-bromo-7-methoxyimidazo[1,2-a]pyridin-3-yl)methanol

(6-bromo-7-methoxyimidazo[1,2-a]pyridin-3-yl)methanol (PubChem CID 169098659) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is (6-bromo-7-methoxyimidazo[1,2-a]pyridin-3-yl)methanol.

Molecular Properties

Compound Name(6-bromo-7-methoxyimidazo[1,2-a]pyridin-3-yl)methanol
PubChem CID169098659
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC Name(6-bromo-7-methoxyimidazo[1,2-a]pyridin-3-yl)methanol
SMILESCOc1cc2ncc(CO)n2cc1Br
InChIInChI=1S/C9H9BrN2O2/c1-14-8-2-9-11-3-6(5-13)12(9)4-7(8)10/h2-4,13H,5H2,1H3
InChIKeyVDDUAHITNPDPCN-UHFFFAOYSA-N
XLogP1.60
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-7-methoxyimidazo[1,2-a]pyridin-3-yl)methanol?
The IUPAC name of (6-bromo-7-methoxyimidazo[1,2-a]pyridin-3-yl)methanol (CID 169098659) is (6-bromo-7-methoxyimidazo[1,2-a]pyridin-3-yl)methanol.
What is the SMILES notation for (6-bromo-7-methoxyimidazo[1,2-a]pyridin-3-yl)methanol?
The canonical SMILES for (6-bromo-7-methoxyimidazo[1,2-a]pyridin-3-yl)methanol is COc1cc2ncc(CO)n2cc1Br.
What is the InChIKey of (6-bromo-7-methoxyimidazo[1,2-a]pyridin-3-yl)methanol?
The InChIKey is VDDUAHITNPDPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c1-14-8-2-9-11-3-6(5-13)12(9)4-7(8)10/h2-4,13H,5H2,1H3.
What are the key properties of (6-bromo-7-methoxyimidazo[1,2-a]pyridin-3-yl)methanol?
(6-bromo-7-methoxyimidazo[1,2-a]pyridin-3-yl)methanol has a molecular weight of 257.09 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-7-methoxyimidazo[1,2-a]pyridin-3-yl)methanol is sourced from PubChem (CID 169098659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).