6-chloro-2-(2,6-difluorophenyl)-3-nitropyridine

C11H5ClF2N2O2 — CID 79079282

IUPAC6-chloro-2-(2,6-difluorophenyl)-3-nitropyridine
SMILESO=[N+]([O-])c1ccc(Cl)nc1-c1c(F)cccc1F
InChIInChI=1S/C11H5ClF2N2O2/c12-9-5-4-8(16(17)18)11(15-9)10-6(13)2-1-3-7(10)14/h1-5H
InChIKeySPGQXLZDIOXEDK-UHFFFAOYSA-N
MW270.62 g/mol
LogP3.59
Rot. Bonds2

About 6-chloro-2-(2,6-difluorophenyl)-3-nitropyridine

6-chloro-2-(2,6-difluorophenyl)-3-nitropyridine (PubChem CID 79079282) has the molecular formula C11H5ClF2N2O2 and a molecular weight of 270.62 g/mol. Its IUPAC name is 6-chloro-2-(2,6-difluorophenyl)-3-nitropyridine.

Molecular Properties

Compound Name6-chloro-2-(2,6-difluorophenyl)-3-nitropyridine
PubChem CID79079282
Molecular FormulaC11H5ClF2N2O2
Molecular Weight270.62 g/mol
Exact Mass270.00
IUPAC Name6-chloro-2-(2,6-difluorophenyl)-3-nitropyridine
SMILESO=[N+]([O-])c1ccc(Cl)nc1-c1c(F)cccc1F
InChIInChI=1S/C11H5ClF2N2O2/c12-9-5-4-8(16(17)18)11(15-9)10-6(13)2-1-3-7(10)14/h1-5H
InChIKeySPGQXLZDIOXEDK-UHFFFAOYSA-N
XLogP3.59
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.62
LogP ≤ 53.59
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 6-chloro-2-(2,6-difluorophenyl)-3-nitropyridine?
The IUPAC name of 6-chloro-2-(2,6-difluorophenyl)-3-nitropyridine (CID 79079282) is 6-chloro-2-(2,6-difluorophenyl)-3-nitropyridine.
What is the SMILES notation for 6-chloro-2-(2,6-difluorophenyl)-3-nitropyridine?
The canonical SMILES for 6-chloro-2-(2,6-difluorophenyl)-3-nitropyridine is O=[N+]([O-])c1ccc(Cl)nc1-c1c(F)cccc1F.
What is the InChIKey of 6-chloro-2-(2,6-difluorophenyl)-3-nitropyridine?
The InChIKey is SPGQXLZDIOXEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF2N2O2/c12-9-5-4-8(16(17)18)11(15-9)10-6(13)2-1-3-7(10)14/h1-5H.
What are the key properties of 6-chloro-2-(2,6-difluorophenyl)-3-nitropyridine?
6-chloro-2-(2,6-difluorophenyl)-3-nitropyridine has a molecular weight of 270.62 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,6-difluorophenyl)-3-nitropyridine is sourced from PubChem (CID 79079282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).