6-chloro-2-(5-fluoro-3-pyridinyl)-3-nitropyridine

C10H5ClFN3O2 — CID 79073437

IUPAC6-chloro-2-(5-fluoro-3-pyridinyl)-3-nitropyridine
SMILESO=[N+]([O-])c1ccc(Cl)nc1-c1cncc(F)c1
InChIInChI=1S/C10H5ClFN3O2/c11-9-2-1-8(15(16)17)10(14-9)6-3-7(12)5-13-4-6/h1-5H
InChIKeyVUYTYNGMFSLVKH-UHFFFAOYSA-N
MW253.62 g/mol
LogP2.84
Rot. Bonds2

About 6-chloro-2-(5-fluoro-3-pyridinyl)-3-nitropyridine

6-chloro-2-(5-fluoro-3-pyridinyl)-3-nitropyridine (PubChem CID 79073437) has the molecular formula C10H5ClFN3O2 and a molecular weight of 253.62 g/mol. Its IUPAC name is 6-chloro-2-(5-fluoro-3-pyridinyl)-3-nitropyridine.

Molecular Properties

Compound Name6-chloro-2-(5-fluoro-3-pyridinyl)-3-nitropyridine
PubChem CID79073437
Molecular FormulaC10H5ClFN3O2
Molecular Weight253.62 g/mol
Exact Mass253.01
IUPAC Name6-chloro-2-(5-fluoro-3-pyridinyl)-3-nitropyridine
SMILESO=[N+]([O-])c1ccc(Cl)nc1-c1cncc(F)c1
InChIInChI=1S/C10H5ClFN3O2/c11-9-2-1-8(15(16)17)10(14-9)6-3-7(12)5-13-4-6/h1-5H
InChIKeyVUYTYNGMFSLVKH-UHFFFAOYSA-N
XLogP2.84
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.62
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(5-fluoro-3-pyridinyl)-3-nitropyridine?
The IUPAC name of 6-chloro-2-(5-fluoro-3-pyridinyl)-3-nitropyridine (CID 79073437) is 6-chloro-2-(5-fluoro-3-pyridinyl)-3-nitropyridine.
What is the SMILES notation for 6-chloro-2-(5-fluoro-3-pyridinyl)-3-nitropyridine?
The canonical SMILES for 6-chloro-2-(5-fluoro-3-pyridinyl)-3-nitropyridine is O=[N+]([O-])c1ccc(Cl)nc1-c1cncc(F)c1.
What is the InChIKey of 6-chloro-2-(5-fluoro-3-pyridinyl)-3-nitropyridine?
The InChIKey is VUYTYNGMFSLVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFN3O2/c11-9-2-1-8(15(16)17)10(14-9)6-3-7(12)5-13-4-6/h1-5H.
What are the key properties of 6-chloro-2-(5-fluoro-3-pyridinyl)-3-nitropyridine?
6-chloro-2-(5-fluoro-3-pyridinyl)-3-nitropyridine has a molecular weight of 253.62 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5-fluoro-3-pyridinyl)-3-nitropyridine is sourced from PubChem (CID 79073437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).