1-bromo-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid

C11H15BrN2O3 — CID 117247370

IUPAC1-bromo-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
SMILESCOCCc1nc(Br)c2n1C(C(=O)O)CCC2
InChIInChI=1S/C11H15BrN2O3/c1-17-6-5-9-13-10(12)7-3-2-4-8(11(15)16)14(7)9/h8H,2-6H2,1H3,(H,15,16)
InChIKeyAWYQLLGYNVZBTE-UHFFFAOYSA-N
MW303.16 g/mol
LogP1.80
Rot. Bonds4

About 1-bromo-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid

1-bromo-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 117247370) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is 1-bromo-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-bromo-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
PubChem CID117247370
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Name1-bromo-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
SMILESCOCCc1nc(Br)c2n1C(C(=O)O)CCC2
InChIInChI=1S/C11H15BrN2O3/c1-17-6-5-9-13-10(12)7-3-2-4-8(11(15)16)14(7)9/h8H,2-6H2,1H3,(H,15,16)
InChIKeyAWYQLLGYNVZBTE-UHFFFAOYSA-N
XLogP1.80
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-bromo-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid with MolForge

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Related Compounds

3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 117247759
1-chloro-3-(2-methoxyethyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247396
3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 83693098
5-amino-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247779
3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117151863
3-benzyl-1-bromo-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247740
1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117247940
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 83867314
(2R)-1-[2-(2-methoxyethylsulfanyl)acetyl]pyrrolidine-2-carboxylic acid
CID 78921993
1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 43355713
1-bromo-3-cyclopropyl-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 83844096

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 1-bromo-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid (CID 117247370) is 1-bromo-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 1-bromo-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 1-bromo-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid is COCCc1nc(Br)c2n1C(C(=O)O)CCC2.
What is the InChIKey of 1-bromo-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is AWYQLLGYNVZBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-17-6-5-9-13-10(12)7-3-2-4-8(11(15)16)14(7)9/h8H,2-6H2,1H3,(H,15,16).
What are the key properties of 1-bromo-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid?
1-bromo-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 303.16 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117247370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).