3-chloro-5-fluoro-4-nitropyridine

C5H2ClFN2O2 — CID 131211572

IUPAC3-chloro-5-fluoro-4-nitropyridine
SMILESO=[N+]([O-])c1c(F)cncc1Cl
InChIInChI=1S/C5H2ClFN2O2/c6-3-1-8-2-4(7)5(3)9(10)11/h1-2H
InChIKeyKENUUZDJYSYENP-UHFFFAOYSA-N
MW176.53 g/mol
LogP1.78
Rot. Bonds1

About 3-chloro-5-fluoro-4-nitropyridine

3-chloro-5-fluoro-4-nitropyridine (PubChem CID 131211572) has the molecular formula C5H2ClFN2O2 and a molecular weight of 176.53 g/mol. Its IUPAC name is 3-chloro-5-fluoro-4-nitropyridine.

Molecular Properties

Compound Name3-chloro-5-fluoro-4-nitropyridine
PubChem CID131211572
Molecular FormulaC5H2ClFN2O2
Molecular Weight176.53 g/mol
Exact Mass175.98
IUPAC Name3-chloro-5-fluoro-4-nitropyridine
SMILESO=[N+]([O-])c1c(F)cncc1Cl
InChIInChI=1S/C5H2ClFN2O2/c6-3-1-8-2-4(7)5(3)9(10)11/h1-2H
InChIKeyKENUUZDJYSYENP-UHFFFAOYSA-N
XLogP1.78
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.53
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-chloro-5-fluoro-4-nitropyridine?
The IUPAC name of 3-chloro-5-fluoro-4-nitropyridine (CID 131211572) is 3-chloro-5-fluoro-4-nitropyridine.
What is the SMILES notation for 3-chloro-5-fluoro-4-nitropyridine?
The canonical SMILES for 3-chloro-5-fluoro-4-nitropyridine is O=[N+]([O-])c1c(F)cncc1Cl.
What is the InChIKey of 3-chloro-5-fluoro-4-nitropyridine?
The InChIKey is KENUUZDJYSYENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClFN2O2/c6-3-1-8-2-4(7)5(3)9(10)11/h1-2H.
What are the key properties of 3-chloro-5-fluoro-4-nitropyridine?
3-chloro-5-fluoro-4-nitropyridine has a molecular weight of 176.53 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-4-nitropyridine is sourced from PubChem (CID 131211572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).