8-chloro-2-(3-fluorophenyl)-3-methylpyrrolo[1,2-a]pyrazin-1-one

C14H10ClFN2O — CID 90064286

IUPAC8-chloro-2-(3-fluorophenyl)-3-methylpyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cn2ccc(Cl)c2c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C14H10ClFN2O/c1-9-8-17-6-5-12(15)13(17)14(19)18(9)11-4-2-3-10(16)7-11/h2-8H,1H3
InChIKeyOZDHYCRGQOUMIB-UHFFFAOYSA-N
MW276.70 g/mol
LogP3.19
Rot. Bonds1

About 8-chloro-2-(3-fluorophenyl)-3-methylpyrrolo[1,2-a]pyrazin-1-one

8-chloro-2-(3-fluorophenyl)-3-methylpyrrolo[1,2-a]pyrazin-1-one (PubChem CID 90064286) has the molecular formula C14H10ClFN2O and a molecular weight of 276.70 g/mol. Its IUPAC name is 8-chloro-2-(3-fluorophenyl)-3-methylpyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name8-chloro-2-(3-fluorophenyl)-3-methylpyrrolo[1,2-a]pyrazin-1-one
PubChem CID90064286
Molecular FormulaC14H10ClFN2O
Molecular Weight276.70 g/mol
Exact Mass276.05
IUPAC Name8-chloro-2-(3-fluorophenyl)-3-methylpyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cn2ccc(Cl)c2c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C14H10ClFN2O/c1-9-8-17-6-5-12(15)13(17)14(19)18(9)11-4-2-3-10(16)7-11/h2-8H,1H3
InChIKeyOZDHYCRGQOUMIB-UHFFFAOYSA-N
XLogP3.19
TPSA26.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(3-fluorophenyl)-3-methylpyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 8-chloro-2-(3-fluorophenyl)-3-methylpyrrolo[1,2-a]pyrazin-1-one (CID 90064286) is 8-chloro-2-(3-fluorophenyl)-3-methylpyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 8-chloro-2-(3-fluorophenyl)-3-methylpyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 8-chloro-2-(3-fluorophenyl)-3-methylpyrrolo[1,2-a]pyrazin-1-one is Cc1cn2ccc(Cl)c2c(=O)n1-c1cccc(F)c1.
What is the InChIKey of 8-chloro-2-(3-fluorophenyl)-3-methylpyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is OZDHYCRGQOUMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O/c1-9-8-17-6-5-12(15)13(17)14(19)18(9)11-4-2-3-10(16)7-11/h2-8H,1H3.
What are the key properties of 8-chloro-2-(3-fluorophenyl)-3-methylpyrrolo[1,2-a]pyrazin-1-one?
8-chloro-2-(3-fluorophenyl)-3-methylpyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 276.70 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(3-fluorophenyl)-3-methylpyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 90064286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).