2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid

C10H12F3N3O2 — CID 83966528

IUPAC2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid
SMILESNC1CC(C(F)(F)F)Cn2cc(CC(=O)O)nc21
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)5-1-7(14)9-15-6(2-8(17)18)4-16(9)3-5/h4-5,7H,1-3,14H2,(H,17,18)
InChIKeyAPGWYJCHKAXBHP-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.09
Rot. Bonds2

About 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid

2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid (PubChem CID 83966528) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid
PubChem CID83966528
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid
SMILESNC1CC(C(F)(F)F)Cn2cc(CC(=O)O)nc21
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)5-1-7(14)9-15-6(2-8(17)18)4-16(9)3-5/h4-5,7H,1-3,14H2,(H,17,18)
InChIKeyAPGWYJCHKAXBHP-UHFFFAOYSA-N
XLogP1.09
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid?
The IUPAC name of 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid (CID 83966528) is 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid is NC1CC(C(F)(F)F)Cn2cc(CC(=O)O)nc21.
What is the InChIKey of 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid?
The InChIKey is APGWYJCHKAXBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)5-1-7(14)9-15-6(2-8(17)18)4-16(9)3-5/h4-5,7H,1-3,14H2,(H,17,18).
What are the key properties of 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid?
2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid has a molecular weight of 263.22 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid is sourced from PubChem (CID 83966528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).