2-chloro-6-fluoro-3-(2-nitroethenyl)quinoline

C11H6ClFN2O2 — CID 53396804

IUPAC2-chloro-6-fluoro-3-(2-nitroethenyl)quinoline
SMILESO=[N+]([O-])C=Cc1cc2cc(F)ccc2nc1Cl
InChIInChI=1S/C11H6ClFN2O2/c12-11-7(3-4-15(16)17)5-8-6-9(13)1-2-10(8)14-11/h1-6H
InChIKeyRJQOIWQFIZDXIV-UHFFFAOYSA-N
MW252.63 g/mol
LogP3.27
Rot. Bonds2

About 2-chloro-6-fluoro-3-(2-nitroethenyl)quinoline

2-chloro-6-fluoro-3-(2-nitroethenyl)quinoline (PubChem CID 53396804) has the molecular formula C11H6ClFN2O2 and a molecular weight of 252.63 g/mol. Its IUPAC name is 2-chloro-6-fluoro-3-(2-nitroethenyl)quinoline.

Molecular Properties

Compound Name2-chloro-6-fluoro-3-(2-nitroethenyl)quinoline
PubChem CID53396804
Molecular FormulaC11H6ClFN2O2
Molecular Weight252.63 g/mol
Exact Mass252.01
IUPAC Name2-chloro-6-fluoro-3-(2-nitroethenyl)quinoline
SMILESO=[N+]([O-])C=Cc1cc2cc(F)ccc2nc1Cl
InChIInChI=1S/C11H6ClFN2O2/c12-11-7(3-4-15(16)17)5-8-6-9(13)1-2-10(8)14-11/h1-6H
InChIKeyRJQOIWQFIZDXIV-UHFFFAOYSA-N
XLogP3.27
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.63
LogP ≤ 53.27
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-3-(2-nitroethenyl)quinoline?
The IUPAC name of 2-chloro-6-fluoro-3-(2-nitroethenyl)quinoline (CID 53396804) is 2-chloro-6-fluoro-3-(2-nitroethenyl)quinoline.
What is the SMILES notation for 2-chloro-6-fluoro-3-(2-nitroethenyl)quinoline?
The canonical SMILES for 2-chloro-6-fluoro-3-(2-nitroethenyl)quinoline is O=[N+]([O-])C=Cc1cc2cc(F)ccc2nc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-3-(2-nitroethenyl)quinoline?
The InChIKey is RJQOIWQFIZDXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O2/c12-11-7(3-4-15(16)17)5-8-6-9(13)1-2-10(8)14-11/h1-6H.
What are the key properties of 2-chloro-6-fluoro-3-(2-nitroethenyl)quinoline?
2-chloro-6-fluoro-3-(2-nitroethenyl)quinoline has a molecular weight of 252.63 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-3-(2-nitroethenyl)quinoline is sourced from PubChem (CID 53396804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).