3-(4-chlorophenyl)-6,7-difluoroquinoxaline-2-carbonitrile

C15H6ClF2N3 — CID 11616421

IUPAC3-(4-chlorophenyl)-6,7-difluoroquinoxaline-2-carbonitrile
SMILESN#Cc1nc2cc(F)c(F)cc2nc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H6ClF2N3/c16-9-3-1-8(2-4-9)15-14(7-19)20-12-5-10(17)11(18)6-13(12)21-15/h1-6H
InChIKeyLHOXWWLUICHPDB-UHFFFAOYSA-N
MW301.68 g/mol
LogP4.10
Rot. Bonds1

About 3-(4-chlorophenyl)-6,7-difluoroquinoxaline-2-carbonitrile

3-(4-chlorophenyl)-6,7-difluoroquinoxaline-2-carbonitrile (PubChem CID 11616421) has the molecular formula C15H6ClF2N3 and a molecular weight of 301.68 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6,7-difluoroquinoxaline-2-carbonitrile.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6,7-difluoroquinoxaline-2-carbonitrile
PubChem CID11616421
Molecular FormulaC15H6ClF2N3
Molecular Weight301.68 g/mol
Exact Mass301.02
IUPAC Name3-(4-chlorophenyl)-6,7-difluoroquinoxaline-2-carbonitrile
SMILESN#Cc1nc2cc(F)c(F)cc2nc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H6ClF2N3/c16-9-3-1-8(2-4-9)15-14(7-19)20-12-5-10(17)11(18)6-13(12)21-15/h1-6H
InChIKeyLHOXWWLUICHPDB-UHFFFAOYSA-N
XLogP4.10
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.68
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6,7-difluoroquinoxaline-2-carbonitrile?
The IUPAC name of 3-(4-chlorophenyl)-6,7-difluoroquinoxaline-2-carbonitrile (CID 11616421) is 3-(4-chlorophenyl)-6,7-difluoroquinoxaline-2-carbonitrile.
What is the SMILES notation for 3-(4-chlorophenyl)-6,7-difluoroquinoxaline-2-carbonitrile?
The canonical SMILES for 3-(4-chlorophenyl)-6,7-difluoroquinoxaline-2-carbonitrile is N#Cc1nc2cc(F)c(F)cc2nc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-6,7-difluoroquinoxaline-2-carbonitrile?
The InChIKey is LHOXWWLUICHPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6ClF2N3/c16-9-3-1-8(2-4-9)15-14(7-19)20-12-5-10(17)11(18)6-13(12)21-15/h1-6H.
What are the key properties of 3-(4-chlorophenyl)-6,7-difluoroquinoxaline-2-carbonitrile?
3-(4-chlorophenyl)-6,7-difluoroquinoxaline-2-carbonitrile has a molecular weight of 301.68 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6,7-difluoroquinoxaline-2-carbonitrile is sourced from PubChem (CID 11616421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).