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

C16H12ClFN2O2 — CID 39195767

IUPAC3-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
SMILESO=C(O)CCc1c(-c2ccc(F)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C16H12ClFN2O2/c17-11-3-7-14-19-16(10-1-4-12(18)5-2-10)13(20(14)9-11)6-8-15(21)22/h1-5,7,9H,6,8H2,(H,21,22)
InChIKeyCVMANECIBFXWQR-UHFFFAOYSA-N
MW318.74 g/mol
LogP3.81
Rot. Bonds4

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

3-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid (PubChem CID 39195767) has the molecular formula C16H12ClFN2O2 and a molecular weight of 318.74 g/mol. Its IUPAC name is 3-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
PubChem CID39195767
Molecular FormulaC16H12ClFN2O2
Molecular Weight318.74 g/mol
Exact Mass318.06
IUPAC Name3-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
SMILESO=C(O)CCc1c(-c2ccc(F)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C16H12ClFN2O2/c17-11-3-7-14-19-16(10-1-4-12(18)5-2-10)13(20(14)9-11)6-8-15(21)22/h1-5,7,9H,6,8H2,(H,21,22)
InChIKeyCVMANECIBFXWQR-UHFFFAOYSA-N
XLogP3.81
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 53.81
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-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The IUPAC name of 3-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid (CID 39195767) is 3-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid.
What is the SMILES notation for 3-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The canonical SMILES for 3-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid is O=C(O)CCc1c(-c2ccc(F)cc2)nc2ccc(Cl)cn12.
What is the InChIKey of 3-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The InChIKey is CVMANECIBFXWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O2/c17-11-3-7-14-19-16(10-1-4-12(18)5-2-10)13(20(14)9-11)6-8-15(21)22/h1-5,7,9H,6,8H2,(H,21,22).
What are the key properties of 3-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
3-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid has a molecular weight of 318.74 g/mol, XLogP of 3.81, 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-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid is sourced from PubChem (CID 39195767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).