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

C9H11ClN2O2 — CID 83869680

IUPAC2-(1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid
SMILESO=C(O)CC1CCn2cnc(Cl)c2C1
InChIInChI=1S/C9H11ClN2O2/c10-9-7-3-6(4-8(13)14)1-2-12(7)5-11-9/h5-6H,1-4H2,(H,13,14)
InChIKeyJDAXHHBDIBDGDK-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.57
Rot. Bonds2

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

2-(1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid (PubChem CID 83869680) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-(1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid.

Molecular Properties

Compound Name2-(1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid
PubChem CID83869680
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name2-(1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid
SMILESO=C(O)CC1CCn2cnc(Cl)c2C1
InChIInChI=1S/C9H11ClN2O2/c10-9-7-3-6(4-8(13)14)1-2-12(7)5-11-9/h5-6H,1-4H2,(H,13,14)
InChIKeyJDAXHHBDIBDGDK-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid?
The IUPAC name of 2-(1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid (CID 83869680) is 2-(1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid.
What is the SMILES notation for 2-(1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid?
The canonical SMILES for 2-(1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid is O=C(O)CC1CCn2cnc(Cl)c2C1.
What is the InChIKey of 2-(1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid?
The InChIKey is JDAXHHBDIBDGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-9-7-3-6(4-8(13)14)1-2-12(7)5-11-9/h5-6H,1-4H2,(H,13,14).
What are the key properties of 2-(1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid?
2-(1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid has a molecular weight of 214.65 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid is sourced from PubChem (CID 83869680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).