3-(6,7-dichloroquinolin-2-yl)-2-methylpropanenitrile

C13H10Cl2N2 — CID 82246749

IUPAC3-(6,7-dichloroquinolin-2-yl)-2-methylpropanenitrile
SMILESCC(C#N)Cc1ccc2cc(Cl)c(Cl)cc2n1
InChIInChI=1S/C13H10Cl2N2/c1-8(7-16)4-10-3-2-9-5-11(14)12(15)6-13(9)17-10/h2-3,5-6,8H,4H2,1H3
InChIKeyLAVGRJNITIZDEF-UHFFFAOYSA-N
MW265.14 g/mol
LogP4.24
Rot. Bonds2

About 3-(6,7-dichloroquinolin-2-yl)-2-methylpropanenitrile

3-(6,7-dichloroquinolin-2-yl)-2-methylpropanenitrile (PubChem CID 82246749) has the molecular formula C13H10Cl2N2 and a molecular weight of 265.14 g/mol. Its IUPAC name is 3-(6,7-dichloroquinolin-2-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(6,7-dichloroquinolin-2-yl)-2-methylpropanenitrile
PubChem CID82246749
Molecular FormulaC13H10Cl2N2
Molecular Weight265.14 g/mol
Exact Mass264.02
IUPAC Name3-(6,7-dichloroquinolin-2-yl)-2-methylpropanenitrile
SMILESCC(C#N)Cc1ccc2cc(Cl)c(Cl)cc2n1
InChIInChI=1S/C13H10Cl2N2/c1-8(7-16)4-10-3-2-9-5-11(14)12(15)6-13(9)17-10/h2-3,5-6,8H,4H2,1H3
InChIKeyLAVGRJNITIZDEF-UHFFFAOYSA-N
XLogP4.24
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dichloroquinolin-2-yl)-2-methylpropanenitrile?
The IUPAC name of 3-(6,7-dichloroquinolin-2-yl)-2-methylpropanenitrile (CID 82246749) is 3-(6,7-dichloroquinolin-2-yl)-2-methylpropanenitrile.
What is the SMILES notation for 3-(6,7-dichloroquinolin-2-yl)-2-methylpropanenitrile?
The canonical SMILES for 3-(6,7-dichloroquinolin-2-yl)-2-methylpropanenitrile is CC(C#N)Cc1ccc2cc(Cl)c(Cl)cc2n1.
What is the InChIKey of 3-(6,7-dichloroquinolin-2-yl)-2-methylpropanenitrile?
The InChIKey is LAVGRJNITIZDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2/c1-8(7-16)4-10-3-2-9-5-11(14)12(15)6-13(9)17-10/h2-3,5-6,8H,4H2,1H3.
What are the key properties of 3-(6,7-dichloroquinolin-2-yl)-2-methylpropanenitrile?
3-(6,7-dichloroquinolin-2-yl)-2-methylpropanenitrile has a molecular weight of 265.14 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dichloroquinolin-2-yl)-2-methylpropanenitrile is sourced from PubChem (CID 82246749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).