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

C14H12Cl2N2O2 — CID 117249947

IUPAC1-chloro-3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)C1CCCn2c(-c3cccc(Cl)c3)nc(Cl)c21
InChIInChI=1S/C14H12Cl2N2O2/c15-9-4-1-3-8(7-9)13-17-12(16)11-10(14(19)20)5-2-6-18(11)13/h1,3-4,7,10H,2,5-6H2,(H,19,20)
InChIKeySYYPPJWEXGYYTH-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.82
Rot. Bonds2

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

1-chloro-3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 117249947) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 1-chloro-3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name1-chloro-3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
PubChem CID117249947
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name1-chloro-3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)C1CCCn2c(-c3cccc(Cl)c3)nc(Cl)c21
InChIInChI=1S/C14H12Cl2N2O2/c15-9-4-1-3-8(7-9)13-17-12(16)11-10(14(19)20)5-2-6-18(11)13/h1,3-4,7,10H,2,5-6H2,(H,19,20)
InChIKeySYYPPJWEXGYYTH-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117152057
3-tert-butyl-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117249922
8-hydroxy-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249989
3-(3-chlorophenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249323
3-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117149418
2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid
CID 12519915
3-(4-chlorophenyl)-8-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250135
(2S)-1-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119366011
1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 4122939
[2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclohexylmethanone
CID 110268744
1-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 56767537
3-(3-chlorophenyl)-1-cyclohexylpyrazole-4-carboxylic acid
CID 61273228

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 1-chloro-3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid (CID 117249947) is 1-chloro-3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 1-chloro-3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 1-chloro-3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid is O=C(O)C1CCCn2c(-c3cccc(Cl)c3)nc(Cl)c21.
What is the InChIKey of 1-chloro-3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is SYYPPJWEXGYYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-9-4-1-3-8(7-9)13-17-12(16)11-10(14(19)20)5-2-6-18(11)13/h1,3-4,7,10H,2,5-6H2,(H,19,20).
What are the key properties of 1-chloro-3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
1-chloro-3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 311.17 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117249947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).