6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylic acid

C13H8BrN3O2 — CID 118664408

IUPAC6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2ncc3ccc(Br)cn23)n1
InChIInChI=1S/C13H8BrN3O2/c14-8-4-5-9-6-15-12(17(9)7-8)10-2-1-3-11(16-10)13(18)19/h1-7H,(H,18,19)
InChIKeyVONYJIWGTCJTGT-UHFFFAOYSA-N
MW318.13 g/mol
LogP2.86
Rot. Bonds2

About 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylic acid

6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylic acid (PubChem CID 118664408) has the molecular formula C13H8BrN3O2 and a molecular weight of 318.13 g/mol. Its IUPAC name is 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylic acid
PubChem CID118664408
Molecular FormulaC13H8BrN3O2
Molecular Weight318.13 g/mol
Exact Mass316.98
IUPAC Name6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2ncc3ccc(Br)cn23)n1
InChIInChI=1S/C13H8BrN3O2/c14-8-4-5-9-6-15-12(17(9)7-8)10-2-1-3-11(16-10)13(18)19/h1-7H,(H,18,19)
InChIKeyVONYJIWGTCJTGT-UHFFFAOYSA-N
XLogP2.86
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylic acid (CID 118664408) is 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2ncc3ccc(Br)cn23)n1.
What is the InChIKey of 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylic acid?
The InChIKey is VONYJIWGTCJTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O2/c14-8-4-5-9-6-15-12(17(9)7-8)10-2-1-3-11(16-10)13(18)19/h1-7H,(H,18,19).
What are the key properties of 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylic acid?
6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylic acid has a molecular weight of 318.13 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 118664408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).