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

C10H13ClN2O2 — CID 83869648

IUPAC2-(1-chloro-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid
SMILESCc1nc(Cl)c2n1CCCC2CC(=O)O
InChIInChI=1S/C10H13ClN2O2/c1-6-12-10(11)9-7(5-8(14)15)3-2-4-13(6)9/h7H,2-5H2,1H3,(H,14,15)
InChIKeyBGTQTKOUGKBMCB-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.20
Rot. Bonds2

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

2-(1-chloro-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid (PubChem CID 83869648) 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-8-yl)acetic acid.

Molecular Properties

Compound Name2-(1-chloro-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid
PubChem CID83869648
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-8-yl)acetic acid
SMILESCc1nc(Cl)c2n1CCCC2CC(=O)O
InChIInChI=1S/C10H13ClN2O2/c1-6-12-10(11)9-7(5-8(14)15)3-2-4-13(6)9/h7H,2-5H2,1H3,(H,14,15)
InChIKeyBGTQTKOUGKBMCB-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
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-8-yl)acetic acid?
The IUPAC name of 2-(1-chloro-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid (CID 83869648) is 2-(1-chloro-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid.
What is the SMILES notation for 2-(1-chloro-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid?
The canonical SMILES for 2-(1-chloro-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid is Cc1nc(Cl)c2n1CCCC2CC(=O)O.
What is the InChIKey of 2-(1-chloro-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid?
The InChIKey is BGTQTKOUGKBMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-6-12-10(11)9-7(5-8(14)15)3-2-4-13(6)9/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-8-yl)acetic acid?
2-(1-chloro-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)acetic acid has a molecular weight of 228.68 g/mol, XLogP of 2.20, 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-8-yl)acetic acid is sourced from PubChem (CID 83869648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).