2-(1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)acetic acid

C11H15ClN2O2 — CID 83869734

IUPAC2-(1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)acetic acid
SMILESCCc1nc(Cl)c2n1CC(CC(=O)O)CC2
InChIInChI=1S/C11H15ClN2O2/c1-2-9-13-11(12)8-4-3-7(5-10(15)16)6-14(8)9/h7H,2-6H2,1H3,(H,15,16)
InChIKeyOABOEBLCKPLYIV-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.14
Rot. Bonds3

About 2-(1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)acetic acid

2-(1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)acetic acid (PubChem CID 83869734) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)acetic acid
PubChem CID83869734
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-(1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)acetic acid
SMILESCCc1nc(Cl)c2n1CC(CC(=O)O)CC2
InChIInChI=1S/C11H15ClN2O2/c1-2-9-13-11(12)8-4-3-7(5-10(15)16)6-14(8)9/h7H,2-6H2,1H3,(H,15,16)
InChIKeyOABOEBLCKPLYIV-UHFFFAOYSA-N
XLogP2.14
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)acetic acid?
The IUPAC name of 2-(1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)acetic acid (CID 83869734) is 2-(1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)acetic acid.
What is the SMILES notation for 2-(1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)acetic acid?
The canonical SMILES for 2-(1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)acetic acid is CCc1nc(Cl)c2n1CC(CC(=O)O)CC2.
What is the InChIKey of 2-(1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)acetic acid?
The InChIKey is OABOEBLCKPLYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-2-9-13-11(12)8-4-3-7(5-10(15)16)6-14(8)9/h7H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-(1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)acetic acid?
2-(1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)acetic acid has a molecular weight of 242.71 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)acetic acid is sourced from PubChem (CID 83869734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).