1-chloro-3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid

C14H12Cl2N2O2 — CID 117249330

IUPAC1-chloro-3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)C1CCn2c(-c3ccccc3Cl)nc(Cl)c2C1
InChIInChI=1S/C14H12Cl2N2O2/c15-10-4-2-1-3-9(10)13-17-12(16)11-7-8(14(19)20)5-6-18(11)13/h1-4,8H,5-7H2,(H,19,20)
InChIKeyIZEBYJNIMHPJKP-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.50
Rot. Bonds2

About 1-chloro-3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid

1-chloro-3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 117249330) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 1-chloro-3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-chloro-3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID117249330
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name1-chloro-3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)C1CCn2c(-c3ccccc3Cl)nc(Cl)c2C1
InChIInChI=1S/C14H12Cl2N2O2/c15-10-4-2-1-3-9(10)13-17-12(16)11-7-8(14(19)20)5-6-18(11)13/h1-4,8H,5-7H2,(H,19,20)
InChIKeyIZEBYJNIMHPJKP-UHFFFAOYSA-N
XLogP3.50
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 1-chloro-3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid (CID 117249330) is 1-chloro-3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-chloro-3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 1-chloro-3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid is O=C(O)C1CCn2c(-c3ccccc3Cl)nc(Cl)c2C1.
What is the InChIKey of 1-chloro-3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is IZEBYJNIMHPJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-10-4-2-1-3-9(10)13-17-12(16)11-7-8(14(19)20)5-6-18(11)13/h1-4,8H,5-7H2,(H,19,20).
What are the key properties of 1-chloro-3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
1-chloro-3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 311.17 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117249330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).