7-bromoimidazo[1,5-a]pyridine-3-carbaldehyde;7-bromoimidazo[1,5-a]pyridine-3-carboxylic acid

C16H10Br2N4O3 — CID 170319059

IUPAC7-bromoimidazo[1,5-a]pyridine-3-carbaldehyde;7-bromoimidazo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1ncc2cc(Br)ccn12.O=Cc1ncc2cc(Br)ccn12
InChIInChI=1S/C8H5BrN2O2.C8H5BrN2O/c9-5-1-2-11-6(3-5)4-10-7(11)8(12)13;9-6-1-2-11-7(3-6)4-10-8(11)5-12/h1-4H,(H,12,13);1-5H
InChIKeyNHNAUWQKCWKMRL-UHFFFAOYSA-N
MW466.09 g/mol
LogP3.70
Rot. Bonds2

About 7-bromoimidazo[1,5-a]pyridine-3-carbaldehyde;7-bromoimidazo[1,5-a]pyridine-3-carboxylic acid

7-bromoimidazo[1,5-a]pyridine-3-carbaldehyde;7-bromoimidazo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 170319059) has the molecular formula C16H10Br2N4O3 and a molecular weight of 466.09 g/mol. Its IUPAC name is 7-bromoimidazo[1,5-a]pyridine-3-carbaldehyde;7-bromoimidazo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-bromoimidazo[1,5-a]pyridine-3-carbaldehyde;7-bromoimidazo[1,5-a]pyridine-3-carboxylic acid
PubChem CID170319059
Molecular FormulaC16H10Br2N4O3
Molecular Weight466.09 g/mol
Exact Mass463.91
IUPAC Name7-bromoimidazo[1,5-a]pyridine-3-carbaldehyde;7-bromoimidazo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1ncc2cc(Br)ccn12.O=Cc1ncc2cc(Br)ccn12
InChIInChI=1S/C8H5BrN2O2.C8H5BrN2O/c9-5-1-2-11-6(3-5)4-10-7(11)8(12)13;9-6-1-2-11-7(3-6)4-10-8(11)5-12/h1-4H,(H,12,13);1-5H
InChIKeyNHNAUWQKCWKMRL-UHFFFAOYSA-N
XLogP3.70
TPSA88.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.09
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromoimidazo[1,5-a]pyridine-3-carbaldehyde;7-bromoimidazo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 7-bromoimidazo[1,5-a]pyridine-3-carbaldehyde;7-bromoimidazo[1,5-a]pyridine-3-carboxylic acid (CID 170319059) is 7-bromoimidazo[1,5-a]pyridine-3-carbaldehyde;7-bromoimidazo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-bromoimidazo[1,5-a]pyridine-3-carbaldehyde;7-bromoimidazo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 7-bromoimidazo[1,5-a]pyridine-3-carbaldehyde;7-bromoimidazo[1,5-a]pyridine-3-carboxylic acid is O=C(O)c1ncc2cc(Br)ccn12.O=Cc1ncc2cc(Br)ccn12.
What is the InChIKey of 7-bromoimidazo[1,5-a]pyridine-3-carbaldehyde;7-bromoimidazo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is NHNAUWQKCWKMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2.C8H5BrN2O/c9-5-1-2-11-6(3-5)4-10-7(11)8(12)13;9-6-1-2-11-7(3-6)4-10-8(11)5-12/h1-4H,(H,12,13);1-5H.
What are the key properties of 7-bromoimidazo[1,5-a]pyridine-3-carbaldehyde;7-bromoimidazo[1,5-a]pyridine-3-carboxylic acid?
7-bromoimidazo[1,5-a]pyridine-3-carbaldehyde;7-bromoimidazo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 466.09 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromoimidazo[1,5-a]pyridine-3-carbaldehyde;7-bromoimidazo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 170319059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).