3-(1-bromo-5-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid

C11H11BrN2O2 — CID 84743539

IUPAC3-(1-bromo-5-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
SMILESCc1cccc2c(Br)nc(CCC(=O)O)n12
InChIInChI=1S/C11H11BrN2O2/c1-7-3-2-4-8-11(12)13-9(14(7)8)5-6-10(15)16/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyYIQQWVULUKSWAW-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.42
Rot. Bonds3

About 3-(1-bromo-5-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid

3-(1-bromo-5-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid (PubChem CID 84743539) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 3-(1-bromo-5-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-bromo-5-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
PubChem CID84743539
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name3-(1-bromo-5-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
SMILESCc1cccc2c(Br)nc(CCC(=O)O)n12
InChIInChI=1S/C11H11BrN2O2/c1-7-3-2-4-8-11(12)13-9(14(7)8)5-6-10(15)16/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyYIQQWVULUKSWAW-UHFFFAOYSA-N
XLogP2.42
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-chloro-5-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid
CID 84742117
3-(3,5-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid
CID 83836478
3-(5-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 83890451
3-(5-hydroxy-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 137005772
2-(1-methoxycarbonyl-5-methylimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117253362
3-(2-aminoethyl)-1-bromoimidazo[1,5-a]pyridin-5-ol
CID 117253162
3-(1-bromo-8-hydroxyimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 117255094
1,5-dibromo-3-ethylimidazo[1,5-a]pyridine
CID 84744172
3-[4-bromo-5-(3-methoxyphenyl)-1-methylimidazol-2-yl]propanoic acid
CID 84611921
3-(1-tert-butylbenzimidazol-2-yl)propanoic acid
CID 43142589
3-ethyl-N,N,5-trimethylimidazo[1,5-a]pyridine-1-carboxamide
CID 112552234
3-(5-bromo-4-methylquinazolin-2-yl)propanoic acid
CID 84815402

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromo-5-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid?
The IUPAC name of 3-(1-bromo-5-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid (CID 84743539) is 3-(1-bromo-5-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 3-(1-bromo-5-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid?
The canonical SMILES for 3-(1-bromo-5-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid is Cc1cccc2c(Br)nc(CCC(=O)O)n12.
What is the InChIKey of 3-(1-bromo-5-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid?
The InChIKey is YIQQWVULUKSWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-7-3-2-4-8-11(12)13-9(14(7)8)5-6-10(15)16/h2-4H,5-6H2,1H3,(H,15,16).
What are the key properties of 3-(1-bromo-5-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid?
3-(1-bromo-5-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid has a molecular weight of 283.12 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromo-5-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 84743539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).