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

C10H11F3N2O2 — CID 82383599

IUPAC2-[1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]acetic acid
SMILESO=C(O)CC1CCc2c(C(F)(F)F)ncn2C1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)9-7-2-1-6(3-8(16)17)4-15(7)5-14-9/h5-6H,1-4H2,(H,16,17)
InChIKeyBWGRIHMYZBKAAK-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.94
Rot. Bonds2

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

2-[1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]acetic acid (PubChem CID 82383599) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-[1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]acetic acid
PubChem CID82383599
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2-[1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]acetic acid
SMILESO=C(O)CC1CCc2c(C(F)(F)F)ncn2C1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)9-7-2-1-6(3-8(16)17)4-15(7)5-14-9/h5-6H,1-4H2,(H,16,17)
InChIKeyBWGRIHMYZBKAAK-UHFFFAOYSA-N
XLogP1.94
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]acetic acid?
The IUPAC name of 2-[1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]acetic acid (CID 82383599) is 2-[1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]acetic acid.
What is the SMILES notation for 2-[1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]acetic acid?
The canonical SMILES for 2-[1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]acetic acid is O=C(O)CC1CCc2c(C(F)(F)F)ncn2C1.
What is the InChIKey of 2-[1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]acetic acid?
The InChIKey is BWGRIHMYZBKAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)9-7-2-1-6(3-8(16)17)4-15(7)5-14-9/h5-6H,1-4H2,(H,16,17).
What are the key properties of 2-[1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]acetic acid?
2-[1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]acetic acid has a molecular weight of 248.20 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]acetic acid is sourced from PubChem (CID 82383599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).