5-chloro-3-[(3-fluoro-2-pyridinyl)methoxy]-2-nitropyridine

C11H7ClFN3O3 — CID 86718217

IUPAC5-chloro-3-[(3-fluoro-2-pyridinyl)methoxy]-2-nitropyridine
SMILESO=[N+]([O-])c1ncc(Cl)cc1OCc1ncccc1F
InChIInChI=1S/C11H7ClFN3O3/c12-7-4-10(11(15-5-7)16(17)18)19-6-9-8(13)2-1-3-14-9/h1-5H,6H2
InChIKeyQOUFXQWIRBOECQ-UHFFFAOYSA-N
MW283.65 g/mol
LogP2.76
Rot. Bonds4

About 5-chloro-3-[(3-fluoro-2-pyridinyl)methoxy]-2-nitropyridine

5-chloro-3-[(3-fluoro-2-pyridinyl)methoxy]-2-nitropyridine (PubChem CID 86718217) has the molecular formula C11H7ClFN3O3 and a molecular weight of 283.65 g/mol. Its IUPAC name is 5-chloro-3-[(3-fluoro-2-pyridinyl)methoxy]-2-nitropyridine.

Molecular Properties

Compound Name5-chloro-3-[(3-fluoro-2-pyridinyl)methoxy]-2-nitropyridine
PubChem CID86718217
Molecular FormulaC11H7ClFN3O3
Molecular Weight283.65 g/mol
Exact Mass283.02
IUPAC Name5-chloro-3-[(3-fluoro-2-pyridinyl)methoxy]-2-nitropyridine
SMILESO=[N+]([O-])c1ncc(Cl)cc1OCc1ncccc1F
InChIInChI=1S/C11H7ClFN3O3/c12-7-4-10(11(15-5-7)16(17)18)19-6-9-8(13)2-1-3-14-9/h1-5H,6H2
InChIKeyQOUFXQWIRBOECQ-UHFFFAOYSA-N
XLogP2.76
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.65
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 5-chloro-3-[(3-fluoro-2-pyridinyl)methoxy]-2-nitropyridine?
The IUPAC name of 5-chloro-3-[(3-fluoro-2-pyridinyl)methoxy]-2-nitropyridine (CID 86718217) is 5-chloro-3-[(3-fluoro-2-pyridinyl)methoxy]-2-nitropyridine.
What is the SMILES notation for 5-chloro-3-[(3-fluoro-2-pyridinyl)methoxy]-2-nitropyridine?
The canonical SMILES for 5-chloro-3-[(3-fluoro-2-pyridinyl)methoxy]-2-nitropyridine is O=[N+]([O-])c1ncc(Cl)cc1OCc1ncccc1F.
What is the InChIKey of 5-chloro-3-[(3-fluoro-2-pyridinyl)methoxy]-2-nitropyridine?
The InChIKey is QOUFXQWIRBOECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3O3/c12-7-4-10(11(15-5-7)16(17)18)19-6-9-8(13)2-1-3-14-9/h1-5H,6H2.
What are the key properties of 5-chloro-3-[(3-fluoro-2-pyridinyl)methoxy]-2-nitropyridine?
5-chloro-3-[(3-fluoro-2-pyridinyl)methoxy]-2-nitropyridine has a molecular weight of 283.65 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(3-fluoro-2-pyridinyl)methoxy]-2-nitropyridine is sourced from PubChem (CID 86718217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).