1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid

C11H15ClN2O2 — CID 83869660

IUPAC1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESCC(C)c1nc(Cl)c2n1CCCC2C(=O)O
InChIInChI=1S/C11H15ClN2O2/c1-6(2)10-13-9(12)8-7(11(15)16)4-3-5-14(8)10/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyIXVQKDPWCSJMJR-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.62
Rot. Bonds2

About 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid

1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 83869660) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
PubChem CID83869660
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESCC(C)c1nc(Cl)c2n1CCCC2C(=O)O
InChIInChI=1S/C11H15ClN2O2/c1-6(2)10-13-9(12)8-7(11(15)16)4-3-5-14(8)10/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyIXVQKDPWCSJMJR-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid (CID 83869660) is 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid is CC(C)c1nc(Cl)c2n1CCCC2C(=O)O.
What is the InChIKey of 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is IXVQKDPWCSJMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-6(2)10-13-9(12)8-7(11(15)16)4-3-5-14(8)10/h6-7H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 242.71 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 83869660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).