7,8-difluoro-2-oxo-1H-quinoline-3-carbonitrile

C10H4F2N2O — CID 165460779

IUPAC7,8-difluoro-2-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1cc2ccc(F)c(F)c2[nH]c1=O
InChIInChI=1S/C10H4F2N2O/c11-7-2-1-5-3-6(4-13)10(15)14-9(5)8(7)12/h1-3H,(H,14,15)
InChIKeyHSCHANBZPYFFIZ-UHFFFAOYSA-N
MW206.15 g/mol
LogP1.68
Rot. Bonds

About 7,8-difluoro-2-oxo-1H-quinoline-3-carbonitrile

7,8-difluoro-2-oxo-1H-quinoline-3-carbonitrile (PubChem CID 165460779) has the molecular formula C10H4F2N2O and a molecular weight of 206.15 g/mol. Its IUPAC name is 7,8-difluoro-2-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name7,8-difluoro-2-oxo-1H-quinoline-3-carbonitrile
PubChem CID165460779
Molecular FormulaC10H4F2N2O
Molecular Weight206.15 g/mol
Exact Mass206.03
IUPAC Name7,8-difluoro-2-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1cc2ccc(F)c(F)c2[nH]c1=O
InChIInChI=1S/C10H4F2N2O/c11-7-2-1-5-3-6(4-13)10(15)14-9(5)8(7)12/h1-3H,(H,14,15)
InChIKeyHSCHANBZPYFFIZ-UHFFFAOYSA-N
XLogP1.68
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-2-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 7,8-difluoro-2-oxo-1H-quinoline-3-carbonitrile (CID 165460779) is 7,8-difluoro-2-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 7,8-difluoro-2-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 7,8-difluoro-2-oxo-1H-quinoline-3-carbonitrile is N#Cc1cc2ccc(F)c(F)c2[nH]c1=O.
What is the InChIKey of 7,8-difluoro-2-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is HSCHANBZPYFFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F2N2O/c11-7-2-1-5-3-6(4-13)10(15)14-9(5)8(7)12/h1-3H,(H,14,15).
What are the key properties of 7,8-difluoro-2-oxo-1H-quinoline-3-carbonitrile?
7,8-difluoro-2-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 206.15 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-2-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 165460779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).