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

C10H13ClN2O2 — CID 83869687

IUPAC2-(1-chloro-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid
SMILESCc1nc(Cl)c2n1CCC(CC(=O)O)C2
InChIInChI=1S/C10H13ClN2O2/c1-6-12-10(11)8-4-7(5-9(14)15)2-3-13(6)8/h7H,2-5H2,1H3,(H,14,15)
InChIKeyYDTUFWUUHJBRLL-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.88
Rot. Bonds2

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

2-(1-chloro-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid (PubChem CID 83869687) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-(1-chloro-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid.

Molecular Properties

Compound Name2-(1-chloro-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid
PubChem CID83869687
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name2-(1-chloro-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid
SMILESCc1nc(Cl)c2n1CCC(CC(=O)O)C2
InChIInChI=1S/C10H13ClN2O2/c1-6-12-10(11)8-4-7(5-9(14)15)2-3-13(6)8/h7H,2-5H2,1H3,(H,14,15)
InChIKeyYDTUFWUUHJBRLL-UHFFFAOYSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.88
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-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid?
The IUPAC name of 2-(1-chloro-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid (CID 83869687) is 2-(1-chloro-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid.
What is the SMILES notation for 2-(1-chloro-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid?
The canonical SMILES for 2-(1-chloro-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid is Cc1nc(Cl)c2n1CCC(CC(=O)O)C2.
What is the InChIKey of 2-(1-chloro-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid?
The InChIKey is YDTUFWUUHJBRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-6-12-10(11)8-4-7(5-9(14)15)2-3-13(6)8/h7H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-(1-chloro-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid?
2-(1-chloro-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid has a molecular weight of 228.68 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid is sourced from PubChem (CID 83869687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).