2-(6,7-dichloroquinoxalin-2-yl)acetonitrile

C10H5Cl2N3 — CID 126511430

IUPAC2-(6,7-dichloroquinoxalin-2-yl)acetonitrile
SMILESN#CCc1cnc2cc(Cl)c(Cl)cc2n1
InChIInChI=1S/C10H5Cl2N3/c11-7-3-9-10(4-8(7)12)15-6(1-2-13)5-14-9/h3-5H,1H2
InChIKeyLHRDIMYFKHJUJM-UHFFFAOYSA-N
MW238.08 g/mol
LogP3.00
Rot. Bonds1

About 2-(6,7-dichloroquinoxalin-2-yl)acetonitrile

2-(6,7-dichloroquinoxalin-2-yl)acetonitrile (PubChem CID 126511430) has the molecular formula C10H5Cl2N3 and a molecular weight of 238.08 g/mol. Its IUPAC name is 2-(6,7-dichloroquinoxalin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(6,7-dichloroquinoxalin-2-yl)acetonitrile
PubChem CID126511430
Molecular FormulaC10H5Cl2N3
Molecular Weight238.08 g/mol
Exact Mass236.99
IUPAC Name2-(6,7-dichloroquinoxalin-2-yl)acetonitrile
SMILESN#CCc1cnc2cc(Cl)c(Cl)cc2n1
InChIInChI=1S/C10H5Cl2N3/c11-7-3-9-10(4-8(7)12)15-6(1-2-13)5-14-9/h3-5H,1H2
InChIKeyLHRDIMYFKHJUJM-UHFFFAOYSA-N
XLogP3.00
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dichloroquinoxalin-2-yl)acetonitrile?
The IUPAC name of 2-(6,7-dichloroquinoxalin-2-yl)acetonitrile (CID 126511430) is 2-(6,7-dichloroquinoxalin-2-yl)acetonitrile.
What is the SMILES notation for 2-(6,7-dichloroquinoxalin-2-yl)acetonitrile?
The canonical SMILES for 2-(6,7-dichloroquinoxalin-2-yl)acetonitrile is N#CCc1cnc2cc(Cl)c(Cl)cc2n1.
What is the InChIKey of 2-(6,7-dichloroquinoxalin-2-yl)acetonitrile?
The InChIKey is LHRDIMYFKHJUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N3/c11-7-3-9-10(4-8(7)12)15-6(1-2-13)5-14-9/h3-5H,1H2.
What are the key properties of 2-(6,7-dichloroquinoxalin-2-yl)acetonitrile?
2-(6,7-dichloroquinoxalin-2-yl)acetonitrile has a molecular weight of 238.08 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dichloroquinoxalin-2-yl)acetonitrile is sourced from PubChem (CID 126511430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).