4-[1-(2,6-dichlorobenzoyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-fluorobenzoic acid

C20H10Cl2FN3O4 — CID 118007777

IUPAC4-[1-(2,6-dichlorobenzoyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-n2c(=O)n(C(=O)c3c(Cl)cccc3Cl)c3cccnc32)c(F)c1
InChIInChI=1S/C20H10Cl2FN3O4/c21-11-3-1-4-12(22)16(11)18(27)26-15-5-2-8-24-17(15)25(20(26)30)14-7-6-10(19(28)29)9-13(14)23/h1-9H,(H,28,29)
InChIKeyMZKMBWDKURNELQ-UHFFFAOYSA-N
MW446.22 g/mol
LogP4.02
Rot. Bonds3

About 4-[1-(2,6-dichlorobenzoyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-fluorobenzoic acid

4-[1-(2,6-dichlorobenzoyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-fluorobenzoic acid (PubChem CID 118007777) has the molecular formula C20H10Cl2FN3O4 and a molecular weight of 446.22 g/mol. Its IUPAC name is 4-[1-(2,6-dichlorobenzoyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[1-(2,6-dichlorobenzoyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-fluorobenzoic acid
PubChem CID118007777
Molecular FormulaC20H10Cl2FN3O4
Molecular Weight446.22 g/mol
Exact Mass445.00
IUPAC Name4-[1-(2,6-dichlorobenzoyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-n2c(=O)n(C(=O)c3c(Cl)cccc3Cl)c3cccnc32)c(F)c1
InChIInChI=1S/C20H10Cl2FN3O4/c21-11-3-1-4-12(22)16(11)18(27)26-15-5-2-8-24-17(15)25(20(26)30)14-7-6-10(19(28)29)9-13(14)23/h1-9H,(H,28,29)
InChIKeyMZKMBWDKURNELQ-UHFFFAOYSA-N
XLogP4.02
TPSA94.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.22
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,6-dichlorobenzoyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-fluorobenzoic acid?
The IUPAC name of 4-[1-(2,6-dichlorobenzoyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-fluorobenzoic acid (CID 118007777) is 4-[1-(2,6-dichlorobenzoyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[1-(2,6-dichlorobenzoyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-fluorobenzoic acid?
The canonical SMILES for 4-[1-(2,6-dichlorobenzoyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-fluorobenzoic acid is O=C(O)c1ccc(-n2c(=O)n(C(=O)c3c(Cl)cccc3Cl)c3cccnc32)c(F)c1.
What is the InChIKey of 4-[1-(2,6-dichlorobenzoyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-fluorobenzoic acid?
The InChIKey is MZKMBWDKURNELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl2FN3O4/c21-11-3-1-4-12(22)16(11)18(27)26-15-5-2-8-24-17(15)25(20(26)30)14-7-6-10(19(28)29)9-13(14)23/h1-9H,(H,28,29).
What are the key properties of 4-[1-(2,6-dichlorobenzoyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-fluorobenzoic acid?
4-[1-(2,6-dichlorobenzoyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-fluorobenzoic acid has a molecular weight of 446.22 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,6-dichlorobenzoyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-3-fluorobenzoic acid is sourced from PubChem (CID 118007777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).