3-chloro-2-(3-fluorophenyl)-5-nitropyridine

C11H6ClFN2O2 — CID 20829942

IUPAC3-chloro-2-(3-fluorophenyl)-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(-c2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C11H6ClFN2O2/c12-10-5-9(15(16)17)6-14-11(10)7-2-1-3-8(13)4-7/h1-6H
InChIKeyLAXJDZUDHGDFPT-UHFFFAOYSA-N
MW252.63 g/mol
LogP3.45
Rot. Bonds2

About 3-chloro-2-(3-fluorophenyl)-5-nitropyridine

3-chloro-2-(3-fluorophenyl)-5-nitropyridine (PubChem CID 20829942) has the molecular formula C11H6ClFN2O2 and a molecular weight of 252.63 g/mol. Its IUPAC name is 3-chloro-2-(3-fluorophenyl)-5-nitropyridine.

Molecular Properties

Compound Name3-chloro-2-(3-fluorophenyl)-5-nitropyridine
PubChem CID20829942
Molecular FormulaC11H6ClFN2O2
Molecular Weight252.63 g/mol
Exact Mass252.01
IUPAC Name3-chloro-2-(3-fluorophenyl)-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(-c2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C11H6ClFN2O2/c12-10-5-9(15(16)17)6-14-11(10)7-2-1-3-8(13)4-7/h1-6H
InChIKeyLAXJDZUDHGDFPT-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
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-2-(3-fluorophenyl)-5-nitropyridine?
The IUPAC name of 3-chloro-2-(3-fluorophenyl)-5-nitropyridine (CID 20829942) is 3-chloro-2-(3-fluorophenyl)-5-nitropyridine.
What is the SMILES notation for 3-chloro-2-(3-fluorophenyl)-5-nitropyridine?
The canonical SMILES for 3-chloro-2-(3-fluorophenyl)-5-nitropyridine is O=[N+]([O-])c1cnc(-c2cccc(F)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-(3-fluorophenyl)-5-nitropyridine?
The InChIKey is LAXJDZUDHGDFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O2/c12-10-5-9(15(16)17)6-14-11(10)7-2-1-3-8(13)4-7/h1-6H.
What are the key properties of 3-chloro-2-(3-fluorophenyl)-5-nitropyridine?
3-chloro-2-(3-fluorophenyl)-5-nitropyridine has a molecular weight of 252.63 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-fluorophenyl)-5-nitropyridine is sourced from PubChem (CID 20829942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).