7-bromo-3-[(dimethylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid

C11H12BrN3O2 — CID 117255480

IUPAC7-bromo-3-[(dimethylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCN(C)Cc1nc(C(=O)O)c2cc(Br)ccn12
InChIInChI=1S/C11H12BrN3O2/c1-14(2)6-9-13-10(11(16)17)8-5-7(12)3-4-15(8)9/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyRVHQVZMMLDUCLM-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.86
Rot. Bonds3

About 7-bromo-3-[(dimethylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid

7-bromo-3-[(dimethylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117255480) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 7-bromo-3-[(dimethylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name7-bromo-3-[(dimethylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117255480
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name7-bromo-3-[(dimethylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCN(C)Cc1nc(C(=O)O)c2cc(Br)ccn12
InChIInChI=1S/C11H12BrN3O2/c1-14(2)6-9-13-10(11(16)17)8-5-7(12)3-4-15(8)9/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyRVHQVZMMLDUCLM-UHFFFAOYSA-N
XLogP1.86
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-3-[(cyclopropylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255473
7-bromo-3-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744919
7-bromo-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744734
7-hydroxy-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255464
7-hydroxy-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251556
2-(7-bromo-1-chloroimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117254492
7-hydroxy-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255433
7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246922
7-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid
CID 166609430
3-(azetidin-3-ylmethyl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254174
7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255453
3-[(dimethylamino)methyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82530096

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[(dimethylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 7-bromo-3-[(dimethylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117255480) is 7-bromo-3-[(dimethylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 7-bromo-3-[(dimethylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 7-bromo-3-[(dimethylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid is CN(C)Cc1nc(C(=O)O)c2cc(Br)ccn12.
What is the InChIKey of 7-bromo-3-[(dimethylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is RVHQVZMMLDUCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-14(2)6-9-13-10(11(16)17)8-5-7(12)3-4-15(8)9/h3-5H,6H2,1-2H3,(H,16,17).
What are the key properties of 7-bromo-3-[(dimethylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
7-bromo-3-[(dimethylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 298.14 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[(dimethylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117255480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).