6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid

C14H9BrN2O2 — CID 113303487

IUPAC6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)nc2ccc(Br)cn12
InChIInChI=1S/C14H9BrN2O2/c15-10-6-7-11-16-12(9-4-2-1-3-5-9)13(14(18)19)17(11)8-10/h1-8H,(H,18,19)
InChIKeyVQYLUJJOGCEPQN-UHFFFAOYSA-N
MW317.14 g/mol
LogP3.46
Rot. Bonds2

About 6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid

6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 113303487) has the molecular formula C14H9BrN2O2 and a molecular weight of 317.14 g/mol. Its IUPAC name is 6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID113303487
Molecular FormulaC14H9BrN2O2
Molecular Weight317.14 g/mol
Exact Mass315.98
IUPAC Name6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)nc2ccc(Br)cn12
InChIInChI=1S/C14H9BrN2O2/c15-10-6-7-11-16-12(9-4-2-1-3-5-9)13(14(18)19)17(11)8-10/h1-8H,(H,18,19)
InChIKeyVQYLUJJOGCEPQN-UHFFFAOYSA-N
XLogP3.46
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 113303487) is 6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)c1c(-c2ccccc2)nc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is VQYLUJJOGCEPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2/c15-10-6-7-11-16-12(9-4-2-1-3-5-9)13(14(18)19)17(11)8-10/h1-8H,(H,18,19).
What are the key properties of 6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid?
6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 317.14 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 113303487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).