3-(1-aminoethyl)-7-chloroimidazo[1,5-a]pyridine-1-carboxylic acid

C10H10ClN3O2 — CID 117254300

IUPAC3-(1-aminoethyl)-7-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(N)c1nc(C(=O)O)c2cc(Cl)ccn12
InChIInChI=1S/C10H10ClN3O2/c1-5(12)9-13-8(10(15)16)7-4-6(11)2-3-14(7)9/h2-5H,12H2,1H3,(H,15,16)
InChIKeyBYJZOTIJOLJLMX-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.71
Rot. Bonds2

About 3-(1-aminoethyl)-7-chloroimidazo[1,5-a]pyridine-1-carboxylic acid

3-(1-aminoethyl)-7-chloroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117254300) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 3-(1-aminoethyl)-7-chloroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-aminoethyl)-7-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117254300
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name3-(1-aminoethyl)-7-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(N)c1nc(C(=O)O)c2cc(Cl)ccn12
InChIInChI=1S/C10H10ClN3O2/c1-5(12)9-13-8(10(15)16)7-4-6(11)2-3-14(7)9/h2-5H,12H2,1H3,(H,15,16)
InChIKeyBYJZOTIJOLJLMX-UHFFFAOYSA-N
XLogP1.71
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7-amino-3-(1-aminoethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254299
3-(1-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254893
3-(1-aminoethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254853
2-(7-chloro-3-methylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 83869402
3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246957
3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83840855
6-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84743542
1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 83678824
1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310660
1-(1-bromo-6-chloroimidazo[1,5-a]pyridin-3-yl)ethanamine
CID 83867541
3-(azetidin-3-yl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254064
3,6-dichloropyridine-2-carboxylic acid;propan-2-amine
CID 174671655

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-7-chloroimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(1-aminoethyl)-7-chloroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117254300) is 3-(1-aminoethyl)-7-chloroimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(1-aminoethyl)-7-chloroimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(1-aminoethyl)-7-chloroimidazo[1,5-a]pyridine-1-carboxylic acid is CC(N)c1nc(C(=O)O)c2cc(Cl)ccn12.
What is the InChIKey of 3-(1-aminoethyl)-7-chloroimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is BYJZOTIJOLJLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-5(12)9-13-8(10(15)16)7-4-6(11)2-3-14(7)9/h2-5H,12H2,1H3,(H,15,16).
What are the key properties of 3-(1-aminoethyl)-7-chloroimidazo[1,5-a]pyridine-1-carboxylic acid?
3-(1-aminoethyl)-7-chloroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 239.66 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-7-chloroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117254300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).