1-chloro-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid

C11H12ClN3O2 — CID 84742150

IUPAC1-chloro-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid
SMILESCNCCc1nc(Cl)c2ccc(C(=O)O)cn12
InChIInChI=1S/C11H12ClN3O2/c1-13-5-4-9-14-10(12)8-3-2-7(11(16)17)6-15(8)9/h2-3,6,13H,4-5H2,1H3,(H,16,17)
InChIKeyNHQLDPHEIORAPZ-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.45
Rot. Bonds4

About 1-chloro-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid

1-chloro-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 84742150) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 1-chloro-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-chloro-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid
PubChem CID84742150
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name1-chloro-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid
SMILESCNCCc1nc(Cl)c2ccc(C(=O)O)cn12
InChIInChI=1S/C11H12ClN3O2/c1-13-5-4-9-14-10(12)8-3-2-7(11(16)17)6-15(8)9/h2-3,6,13H,4-5H2,1H3,(H,16,17)
InChIKeyNHQLDPHEIORAPZ-UHFFFAOYSA-N
XLogP1.45
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-carboxyethyl)-1-chloroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 84743043
1-chloro-3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117251411
1-chloro-3-(4-chlorophenyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117251414
2-(7-bromo-1-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine
CID 84743721
1-chloro-3-pyridin-2-ylimidazo[1,5-a]pyridine-6-carboxylic acid
CID 117251203
3-(1-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine
CID 117253307
3-(1-bromo-6-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine
CID 117253851
3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117257179
2-(1-chloro-6-methylimidazo[1,5-a]pyridin-3-yl)ethanamine
CID 83869578
methyl 6-hydroxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate
CID 117253837
8-chloro-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255040
1-bromo-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83844047

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 1-chloro-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid (CID 84742150) is 1-chloro-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-chloro-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 1-chloro-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid is CNCCc1nc(Cl)c2ccc(C(=O)O)cn12.
What is the InChIKey of 1-chloro-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is NHQLDPHEIORAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-13-5-4-9-14-10(12)8-3-2-7(11(16)17)6-15(8)9/h2-3,6,13H,4-5H2,1H3,(H,16,17).
What are the key properties of 1-chloro-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid?
1-chloro-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 253.69 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 84742150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).