3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid

C16H12Cl2N2O2 — CID 13267858

IUPAC3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
SMILESO=C(O)CCc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C16H12Cl2N2O2/c17-11-3-1-10(2-4-11)16-13(6-8-15(21)22)20-9-12(18)5-7-14(20)19-16/h1-5,7,9H,6,8H2,(H,21,22)
InChIKeyURXVRKGRDYTQIO-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.33
Rot. Bonds4

About 3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid

3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid (PubChem CID 13267858) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
PubChem CID13267858
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
SMILESO=C(O)CCc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C16H12Cl2N2O2/c17-11-3-1-10(2-4-11)16-13(6-8-15(21)22)20-9-12(18)5-7-14(20)19-16/h1-5,7,9H,6,8H2,(H,21,22)
InChIKeyURXVRKGRDYTQIO-UHFFFAOYSA-N
XLogP4.33
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The IUPAC name of 3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid (CID 13267858) is 3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid.
What is the SMILES notation for 3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The canonical SMILES for 3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid is O=C(O)CCc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.
What is the InChIKey of 3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The InChIKey is URXVRKGRDYTQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c17-11-3-1-10(2-4-11)16-13(6-8-15(21)22)20-9-12(18)5-7-14(20)19-16/h1-5,7,9H,6,8H2,(H,21,22).
What are the key properties of 3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid has a molecular weight of 335.19 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid is sourced from PubChem (CID 13267858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).