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

C8H8BrClN2O2 — CID 83867673

IUPAC3-bromo-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)C1CCc2c(Cl)nc(Br)n2C1
InChIInChI=1S/C8H8BrClN2O2/c9-8-11-6(10)5-2-1-4(7(13)14)3-12(5)8/h4H,1-3H2,(H,13,14)
InChIKeyWELXCGZWBGSMSZ-UHFFFAOYSA-N
MW279.52 g/mol
LogP1.95
Rot. Bonds1

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

3-bromo-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 83867673) has the molecular formula C8H8BrClN2O2 and a molecular weight of 279.52 g/mol. Its IUPAC name is 3-bromo-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-bromo-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
PubChem CID83867673
Molecular FormulaC8H8BrClN2O2
Molecular Weight279.52 g/mol
Exact Mass277.95
IUPAC Name3-bromo-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)C1CCc2c(Cl)nc(Br)n2C1
InChIInChI=1S/C8H8BrClN2O2/c9-8-11-6(10)5-2-1-4(7(13)14)3-12(5)8/h4H,1-3H2,(H,13,14)
InChIKeyWELXCGZWBGSMSZ-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.52
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 117248784
3-chloro-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83869830
3-bromo-1-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 84606293
1-bromo-3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 117248785
3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83869831
methyl 1-chloro-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248583
3-(5-chlorofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
CID 117248395
3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
CID 137005477
methyl 1-chloro-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248388
methyl 1-chloro-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248214
2-(1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)acetic acid
CID 83869734
1-methyl-6-oxopiperidine-3-carboxylic acid
CID 25247731

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-bromo-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid (CID 83867673) is 3-bromo-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-bromo-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-bromo-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid is O=C(O)C1CCc2c(Cl)nc(Br)n2C1.
What is the InChIKey of 3-bromo-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is WELXCGZWBGSMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2O2/c9-8-11-6(10)5-2-1-4(7(13)14)3-12(5)8/h4H,1-3H2,(H,13,14).
What are the key properties of 3-bromo-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
3-bromo-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 279.52 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 83867673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).