3-(2-chloro-6-fluorophenyl)-6-(3,5-difluoro-2-pyridinyl)-5-methyl-[1,2]oxazolo[4,5-c]pyridin-4-one

C18H9ClF3N3O2 — CID 42601151

IUPAC3-(2-chloro-6-fluorophenyl)-6-(3,5-difluoro-2-pyridinyl)-5-methyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCn1c(-c2ncc(F)cc2F)cc2onc(-c3c(F)cccc3Cl)c2c1=O
InChIInChI=1S/C18H9ClF3N3O2/c1-25-12(16-11(22)5-8(20)7-23-16)6-13-15(18(25)26)17(24-27-13)14-9(19)3-2-4-10(14)21/h2-7H,1H3
InChIKeySQJNNIVWWXSCAH-UHFFFAOYSA-N
MW391.74 g/mol
LogP4.33
Rot. Bonds2

About 3-(2-chloro-6-fluorophenyl)-6-(3,5-difluoro-2-pyridinyl)-5-methyl-[1,2]oxazolo[4,5-c]pyridin-4-one

3-(2-chloro-6-fluorophenyl)-6-(3,5-difluoro-2-pyridinyl)-5-methyl-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 42601151) has the molecular formula C18H9ClF3N3O2 and a molecular weight of 391.74 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-6-(3,5-difluoro-2-pyridinyl)-5-methyl-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-6-(3,5-difluoro-2-pyridinyl)-5-methyl-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID42601151
Molecular FormulaC18H9ClF3N3O2
Molecular Weight391.74 g/mol
Exact Mass391.03
IUPAC Name3-(2-chloro-6-fluorophenyl)-6-(3,5-difluoro-2-pyridinyl)-5-methyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCn1c(-c2ncc(F)cc2F)cc2onc(-c3c(F)cccc3Cl)c2c1=O
InChIInChI=1S/C18H9ClF3N3O2/c1-25-12(16-11(22)5-8(20)7-23-16)6-13-15(18(25)26)17(24-27-13)14-9(19)3-2-4-10(14)21/h2-7H,1H3
InChIKeySQJNNIVWWXSCAH-UHFFFAOYSA-N
XLogP4.33
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.74
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2-chloro-6-fluorophenyl)-6-(3,5-difluoro-2-pyridinyl)-5-methyl-[1,2]oxazolo[4,5-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-6-(3,5-difluoro-2-pyridinyl)-5-methyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-6-(3,5-difluoro-2-pyridinyl)-5-methyl-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 42601151) is 3-(2-chloro-6-fluorophenyl)-6-(3,5-difluoro-2-pyridinyl)-5-methyl-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-6-(3,5-difluoro-2-pyridinyl)-5-methyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-6-(3,5-difluoro-2-pyridinyl)-5-methyl-[1,2]oxazolo[4,5-c]pyridin-4-one is Cn1c(-c2ncc(F)cc2F)cc2onc(-c3c(F)cccc3Cl)c2c1=O.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-6-(3,5-difluoro-2-pyridinyl)-5-methyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is SQJNNIVWWXSCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF3N3O2/c1-25-12(16-11(22)5-8(20)7-23-16)6-13-15(18(25)26)17(24-27-13)14-9(19)3-2-4-10(14)21/h2-7H,1H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-6-(3,5-difluoro-2-pyridinyl)-5-methyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
3-(2-chloro-6-fluorophenyl)-6-(3,5-difluoro-2-pyridinyl)-5-methyl-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 391.74 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-6-(3,5-difluoro-2-pyridinyl)-5-methyl-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 42601151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).