5,7-difluoro-2-oxo-4aH-quinoline-3-carbonitrile

C10H4F2N2O — CID 178190813

IUPAC5,7-difluoro-2-oxo-4aH-quinoline-3-carbonitrile
SMILESN#CC1=CC2C(F)=CC(F)=CC2=NC1=O
InChIInChI=1S/C10H4F2N2O/c11-6-2-8(12)7-1-5(4-13)10(15)14-9(7)3-6/h1-3,7H
InChIKeyCEAFJDJTRGQLAJ-UHFFFAOYSA-N
MW206.15 g/mol
LogP1.75
Rot. Bonds

About 5,7-difluoro-2-oxo-4aH-quinoline-3-carbonitrile

5,7-difluoro-2-oxo-4aH-quinoline-3-carbonitrile (PubChem CID 178190813) has the molecular formula C10H4F2N2O and a molecular weight of 206.15 g/mol. Its IUPAC name is 5,7-difluoro-2-oxo-4aH-quinoline-3-carbonitrile.

Molecular Properties

Compound Name5,7-difluoro-2-oxo-4aH-quinoline-3-carbonitrile
PubChem CID178190813
Molecular FormulaC10H4F2N2O
Molecular Weight206.15 g/mol
Exact Mass206.03
IUPAC Name5,7-difluoro-2-oxo-4aH-quinoline-3-carbonitrile
SMILESN#CC1=CC2C(F)=CC(F)=CC2=NC1=O
InChIInChI=1S/C10H4F2N2O/c11-6-2-8(12)7-1-5(4-13)10(15)14-9(7)3-6/h1-3,7H
InChIKeyCEAFJDJTRGQLAJ-UHFFFAOYSA-N
XLogP1.75
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-oxo-4aH-quinoline-3-carbonitrile?
The IUPAC name of 5,7-difluoro-2-oxo-4aH-quinoline-3-carbonitrile (CID 178190813) is 5,7-difluoro-2-oxo-4aH-quinoline-3-carbonitrile.
What is the SMILES notation for 5,7-difluoro-2-oxo-4aH-quinoline-3-carbonitrile?
The canonical SMILES for 5,7-difluoro-2-oxo-4aH-quinoline-3-carbonitrile is N#CC1=CC2C(F)=CC(F)=CC2=NC1=O.
What is the InChIKey of 5,7-difluoro-2-oxo-4aH-quinoline-3-carbonitrile?
The InChIKey is CEAFJDJTRGQLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F2N2O/c11-6-2-8(12)7-1-5(4-13)10(15)14-9(7)3-6/h1-3,7H.
What are the key properties of 5,7-difluoro-2-oxo-4aH-quinoline-3-carbonitrile?
5,7-difluoro-2-oxo-4aH-quinoline-3-carbonitrile has a molecular weight of 206.15 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-2-oxo-4aH-quinoline-3-carbonitrile is sourced from PubChem (CID 178190813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).