3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)propanoic acid

C16H13BrN2O2 — CID 39195795

IUPAC3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)propanoic acid
SMILESO=C(O)CCc1c(-c2ccccc2)nc2ccc(Br)cn12
InChIInChI=1S/C16H13BrN2O2/c17-12-6-8-14-18-16(11-4-2-1-3-5-11)13(19(14)10-12)7-9-15(20)21/h1-6,8,10H,7,9H2,(H,20,21)
InChIKeyPTDKUOAFSMDAKF-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.78
Rot. Bonds4

About 3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)propanoic acid

3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)propanoic acid (PubChem CID 39195795) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)propanoic acid
PubChem CID39195795
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)propanoic acid
SMILESO=C(O)CCc1c(-c2ccccc2)nc2ccc(Br)cn12
InChIInChI=1S/C16H13BrN2O2/c17-12-6-8-14-18-16(11-4-2-1-3-5-11)13(19(14)10-12)7-9-15(20)21/h1-6,8,10H,7,9H2,(H,20,21)
InChIKeyPTDKUOAFSMDAKF-UHFFFAOYSA-N
XLogP3.78
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
CID 11792775
6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 113303487
3-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 39195767
(E)-3-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023691
N-benzyl-3-(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 91634258
3-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 39195760
3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 170878846
2-amino-3-[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 170879863
3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 91634623
N-benzyl-4-[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]butan-2-amine
CID 10115748
3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclohexylpropanamide
CID 53036661
4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid
CID 70025253

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)propanoic acid?
The IUPAC name of 3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)propanoic acid (CID 39195795) is 3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)propanoic acid?
The canonical SMILES for 3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)propanoic acid is O=C(O)CCc1c(-c2ccccc2)nc2ccc(Br)cn12.
What is the InChIKey of 3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)propanoic acid?
The InChIKey is PTDKUOAFSMDAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c17-12-6-8-14-18-16(11-4-2-1-3-5-11)13(19(14)10-12)7-9-15(20)21/h1-6,8,10H,7,9H2,(H,20,21).
What are the key properties of 3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)propanoic acid?
3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)propanoic acid has a molecular weight of 345.20 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 39195795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).