4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-2-hydroxybenzoic acid

C21H12Cl2N2O4 — CID 122529855

IUPAC4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3Cl)n3ccccc23)cc1O
InChIInChI=1S/C21H12Cl2N2O4/c22-13-4-3-5-14(23)17(13)19(27)20-24-18(15-6-1-2-9-25(15)20)11-7-8-12(21(28)29)16(26)10-11/h1-10,26H,(H,28,29)
InChIKeyHUZGIHSCXSCKET-UHFFFAOYSA-N
MW427.24 g/mol
LogP4.94
Rot. Bonds4

About 4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-2-hydroxybenzoic acid

4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-2-hydroxybenzoic acid (PubChem CID 122529855) has the molecular formula C21H12Cl2N2O4 and a molecular weight of 427.24 g/mol. Its IUPAC name is 4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-2-hydroxybenzoic acid
PubChem CID122529855
Molecular FormulaC21H12Cl2N2O4
Molecular Weight427.24 g/mol
Exact Mass426.02
IUPAC Name4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3Cl)n3ccccc23)cc1O
InChIInChI=1S/C21H12Cl2N2O4/c22-13-4-3-5-14(23)17(13)19(27)20-24-18(15-6-1-2-9-25(15)20)11-7-8-12(21(28)29)16(26)10-11/h1-10,26H,(H,28,29)
InChIKeyHUZGIHSCXSCKET-UHFFFAOYSA-N
XLogP4.94
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.24
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-2-hydroxybenzoic acid?
The IUPAC name of 4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-2-hydroxybenzoic acid (CID 122529855) is 4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-2-hydroxybenzoic acid is O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3Cl)n3ccccc23)cc1O.
What is the InChIKey of 4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-2-hydroxybenzoic acid?
The InChIKey is HUZGIHSCXSCKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2N2O4/c22-13-4-3-5-14(23)17(13)19(27)20-24-18(15-6-1-2-9-25(15)20)11-7-8-12(21(28)29)16(26)10-11/h1-10,26H,(H,28,29).
What are the key properties of 4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-2-hydroxybenzoic acid?
4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-2-hydroxybenzoic acid has a molecular weight of 427.24 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyridin-1-yl]-2-hydroxybenzoic acid is sourced from PubChem (CID 122529855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).