2,6-dichloro-3-[(E)-2-nitroethenyl]quinoline

C11H6Cl2N2O2 — CID 39346097

IUPAC2,6-dichloro-3-[(E)-2-nitroethenyl]quinoline
SMILESO=[N+]([O-])/C=C/c1cc2cc(Cl)ccc2nc1Cl
InChIInChI=1S/C11H6Cl2N2O2/c12-9-1-2-10-8(6-9)5-7(11(13)14-10)3-4-15(16)17/h1-6H/b4-3+
InChIKeyWDBDGRDWWSBWSR-ONEGZZNKSA-N
MW269.09 g/mol
LogP3.79
Rot. Bonds2

About 2,6-dichloro-3-[(E)-2-nitroethenyl]quinoline

2,6-dichloro-3-[(E)-2-nitroethenyl]quinoline (PubChem CID 39346097) has the molecular formula C11H6Cl2N2O2 and a molecular weight of 269.09 g/mol. Its IUPAC name is 2,6-dichloro-3-[(E)-2-nitroethenyl]quinoline.

Molecular Properties

Compound Name2,6-dichloro-3-[(E)-2-nitroethenyl]quinoline
PubChem CID39346097
Molecular FormulaC11H6Cl2N2O2
Molecular Weight269.09 g/mol
Exact Mass267.98
IUPAC Name2,6-dichloro-3-[(E)-2-nitroethenyl]quinoline
SMILESO=[N+]([O-])/C=C/c1cc2cc(Cl)ccc2nc1Cl
InChIInChI=1S/C11H6Cl2N2O2/c12-9-1-2-10-8(6-9)5-7(11(13)14-10)3-4-15(16)17/h1-6H/b4-3+
InChIKeyWDBDGRDWWSBWSR-ONEGZZNKSA-N
XLogP3.79
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.09
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-fluoro-3-(2-nitroethenyl)quinoline
CID 53396804
2-chloro-8-methyl-3-(2-nitroethenyl)quinoline
CID 53396799
(2,6-dichloroquinolin-3-yl)methanimine
CID 139304192
5-chloro-2-(2-nitroethenyl)-1H-indole
CID 71441869
(R)-N-[(2,6-dichloroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide
CID 118953601
1,2-bis(2-nitroethenyl)benzene
CID 154283712
2-(4-chlorophenyl)-4-[(E)-2-nitroethenyl]-1,3-thiazole
CID 153354646
2-chloro-1-fluoro-4-[(E)-2-nitroethenyl]benzene
CID 66807417
(E)-3-(6-bromo-2-chloroquinolin-3-yl)-1-(3-nitrophenyl)prop-2-en-1-one
CID 73292084
4,7-difluoro-3-[(E)-2-nitroethenyl]-1H-indole
CID 21071471
2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6024519
4-fluoro-3-[(E)-2-nitroethenyl]pyridine
CID 119082644

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[(E)-2-nitroethenyl]quinoline?
The IUPAC name of 2,6-dichloro-3-[(E)-2-nitroethenyl]quinoline (CID 39346097) is 2,6-dichloro-3-[(E)-2-nitroethenyl]quinoline.
What is the SMILES notation for 2,6-dichloro-3-[(E)-2-nitroethenyl]quinoline?
The canonical SMILES for 2,6-dichloro-3-[(E)-2-nitroethenyl]quinoline is O=[N+]([O-])/C=C/c1cc2cc(Cl)ccc2nc1Cl.
What is the InChIKey of 2,6-dichloro-3-[(E)-2-nitroethenyl]quinoline?
The InChIKey is WDBDGRDWWSBWSR-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H6Cl2N2O2/c12-9-1-2-10-8(6-9)5-7(11(13)14-10)3-4-15(16)17/h1-6H/b4-3+.
What are the key properties of 2,6-dichloro-3-[(E)-2-nitroethenyl]quinoline?
2,6-dichloro-3-[(E)-2-nitroethenyl]quinoline has a molecular weight of 269.09 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[(E)-2-nitroethenyl]quinoline is sourced from PubChem (CID 39346097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).