1-chloro-7-(dimethylamino)imidazo[1,5-a]pyridine-3-carboxylic acid

C10H10ClN3O2 — CID 83898591

IUPAC1-chloro-7-(dimethylamino)imidazo[1,5-a]pyridine-3-carboxylic acid
SMILESCN(C)c1ccn2c(C(=O)O)nc(Cl)c2c1
InChIInChI=1S/C10H10ClN3O2/c1-13(2)6-3-4-14-7(5-6)8(11)12-9(14)10(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyKPYSAEVKMBOULZ-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.75
Rot. Bonds2

About 1-chloro-7-(dimethylamino)imidazo[1,5-a]pyridine-3-carboxylic acid

1-chloro-7-(dimethylamino)imidazo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 83898591) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 1-chloro-7-(dimethylamino)imidazo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-chloro-7-(dimethylamino)imidazo[1,5-a]pyridine-3-carboxylic acid
PubChem CID83898591
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name1-chloro-7-(dimethylamino)imidazo[1,5-a]pyridine-3-carboxylic acid
SMILESCN(C)c1ccn2c(C(=O)O)nc(Cl)c2c1
InChIInChI=1S/C10H10ClN3O2/c1-13(2)6-3-4-14-7(5-6)8(11)12-9(14)10(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyKPYSAEVKMBOULZ-UHFFFAOYSA-N
XLogP1.75
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-7-(dimethylamino)imidazo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 1-chloro-7-(dimethylamino)imidazo[1,5-a]pyridine-3-carboxylic acid (CID 83898591) is 1-chloro-7-(dimethylamino)imidazo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-chloro-7-(dimethylamino)imidazo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 1-chloro-7-(dimethylamino)imidazo[1,5-a]pyridine-3-carboxylic acid is CN(C)c1ccn2c(C(=O)O)nc(Cl)c2c1.
What is the InChIKey of 1-chloro-7-(dimethylamino)imidazo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is KPYSAEVKMBOULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-13(2)6-3-4-14-7(5-6)8(11)12-9(14)10(15)16/h3-5H,1-2H3,(H,15,16).
What are the key properties of 1-chloro-7-(dimethylamino)imidazo[1,5-a]pyridine-3-carboxylic acid?
1-chloro-7-(dimethylamino)imidazo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 239.66 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7-(dimethylamino)imidazo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 83898591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).