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

C9H11ClN2O2 — CID 83869830

IUPAC3-chloro-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
SMILESCc1nc(Cl)n2c1CCC(C(=O)O)C2
InChIInChI=1S/C9H11ClN2O2/c1-5-7-3-2-6(8(13)14)4-12(7)9(10)11-5/h6H,2-4H2,1H3,(H,13,14)
InChIKeyVVUCJOBENRJZRJ-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.49
Rot. Bonds1

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

3-chloro-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 83869830) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 3-chloro-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-chloro-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
PubChem CID83869830
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name3-chloro-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
SMILESCc1nc(Cl)n2c1CCC(C(=O)O)C2
InChIInChI=1S/C9H11ClN2O2/c1-5-7-3-2-6(8(13)14)4-12(7)9(10)11-5/h6H,2-4H2,1H3,(H,13,14)
InChIKeyVVUCJOBENRJZRJ-UHFFFAOYSA-N
XLogP1.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83867673
1-chloro-3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 117248784
3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83869831
3-(5-chlorofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
CID 117248395
1-bromo-3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 117248785
3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
CID 137005477
3-bromo-1-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 84606293
3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 81495387
2-(3,4-dimethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 83966438
3-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 83966446
3-(5-chlorothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117147932
methyl 1-chloro-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248583

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-chloro-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid (CID 83869830) is 3-chloro-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-chloro-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-chloro-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid is Cc1nc(Cl)n2c1CCC(C(=O)O)C2.
What is the InChIKey of 3-chloro-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is VVUCJOBENRJZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-5-7-3-2-6(8(13)14)4-12(7)9(10)11-5/h6H,2-4H2,1H3,(H,13,14).
What are the key properties of 3-chloro-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
3-chloro-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 214.65 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 83869830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).