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

C9H12N2O2 — CID 82409049

IUPAC2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid
SMILESO=C(O)CC1CCn2cncc2C1
InChIInChI=1S/C9H12N2O2/c12-9(13)4-7-1-2-11-6-10-5-8(11)3-7/h5-7H,1-4H2,(H,12,13)
InChIKeyGPGYWAUYOJUXIY-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.92
Rot. Bonds2

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

2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid (PubChem CID 82409049) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid
PubChem CID82409049
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid
SMILESO=C(O)CC1CCn2cncc2C1
InChIInChI=1S/C9H12N2O2/c12-9(13)4-7-1-2-11-6-10-5-8(11)3-7/h5-7H,1-4H2,(H,12,13)
InChIKeyGPGYWAUYOJUXIY-UHFFFAOYSA-N
XLogP0.92
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid?
The IUPAC name of 2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid (CID 82409049) is 2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid.
What is the SMILES notation for 2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid?
The canonical SMILES for 2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid is O=C(O)CC1CCn2cncc2C1.
What is the InChIKey of 2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid?
The InChIKey is GPGYWAUYOJUXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-9(13)4-7-1-2-11-6-10-5-8(11)3-7/h5-7H,1-4H2,(H,12,13).
What are the key properties of 2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid?
2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid has a molecular weight of 180.21 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid is sourced from PubChem (CID 82409049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).