2-chloro-3-nitro-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine

C11H5ClF3N3O2 — CID 22030137

IUPAC2-chloro-3-nitro-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine
SMILESO=[N+]([O-])c1cc(-c2ncccc2C(F)(F)F)cnc1Cl
InChIInChI=1S/C11H5ClF3N3O2/c12-10-8(18(19)20)4-6(5-17-10)9-7(11(13,14)15)2-1-3-16-9/h1-5H
InChIKeyFJZWAXQXDIFNIJ-UHFFFAOYSA-N
MW303.63 g/mol
LogP3.72
Rot. Bonds2

About 2-chloro-3-nitro-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine

2-chloro-3-nitro-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine (PubChem CID 22030137) has the molecular formula C11H5ClF3N3O2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 2-chloro-3-nitro-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-nitro-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine
PubChem CID22030137
Molecular FormulaC11H5ClF3N3O2
Molecular Weight303.63 g/mol
Exact Mass303.00
IUPAC Name2-chloro-3-nitro-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine
SMILESO=[N+]([O-])c1cc(-c2ncccc2C(F)(F)F)cnc1Cl
InChIInChI=1S/C11H5ClF3N3O2/c12-10-8(18(19)20)4-6(5-17-10)9-7(11(13,14)15)2-1-3-16-9/h1-5H
InChIKeyFJZWAXQXDIFNIJ-UHFFFAOYSA-N
XLogP3.72
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 53.72
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 2-chloro-3-nitro-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine?
The IUPAC name of 2-chloro-3-nitro-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine (CID 22030137) is 2-chloro-3-nitro-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 2-chloro-3-nitro-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine?
The canonical SMILES for 2-chloro-3-nitro-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine is O=[N+]([O-])c1cc(-c2ncccc2C(F)(F)F)cnc1Cl.
What is the InChIKey of 2-chloro-3-nitro-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine?
The InChIKey is FJZWAXQXDIFNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3N3O2/c12-10-8(18(19)20)4-6(5-17-10)9-7(11(13,14)15)2-1-3-16-9/h1-5H.
What are the key properties of 2-chloro-3-nitro-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine?
2-chloro-3-nitro-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine has a molecular weight of 303.63 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-nitro-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 22030137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).