6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine

C12H6ClF3N2O3 — CID 61057396

IUPAC6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine
SMILESO=[N+]([O-])c1ccc(Cl)nc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H6ClF3N2O3/c13-10-5-4-9(18(19)20)11(17-10)21-8-3-1-2-7(6-8)12(14,15)16/h1-6H
InChIKeyFHRUYHQXNFJVAO-UHFFFAOYSA-N
MW318.64 g/mol
LogP4.45
Rot. Bonds3

About 6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine

6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine (PubChem CID 61057396) has the molecular formula C12H6ClF3N2O3 and a molecular weight of 318.64 g/mol. Its IUPAC name is 6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine.

Molecular Properties

Compound Name6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine
PubChem CID61057396
Molecular FormulaC12H6ClF3N2O3
Molecular Weight318.64 g/mol
Exact Mass318.00
IUPAC Name6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine
SMILESO=[N+]([O-])c1ccc(Cl)nc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H6ClF3N2O3/c13-10-5-4-9(18(19)20)11(17-10)21-8-3-1-2-7(6-8)12(14,15)16/h1-6H
InChIKeyFHRUYHQXNFJVAO-UHFFFAOYSA-N
XLogP4.45
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 54.45
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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Related Compounds

6-chloro-2-(3-fluorophenoxy)-3-nitropyridine
CID 54915179
6-chloro-2-(3-ethylphenoxy)-3-nitropyridine
CID 43330215
3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline
CID 61229474
6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine
CID 61037209
6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine
CID 61038338
6-(3-chlorophenoxy)-5-nitropyridin-2-amine
CID 80869741
6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine
CID 43152615
2,4-dimethyl-5-nitro-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 175592283
6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine
CID 157036896
8-nitro-5-[3-(trifluoromethyl)phenoxy]isoquinoline
CID 4795340
8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline
CID 164876680
6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine
CID 176830724

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine?
The IUPAC name of 6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine (CID 61057396) is 6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine.
What is the SMILES notation for 6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine?
The canonical SMILES for 6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine is O=[N+]([O-])c1ccc(Cl)nc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine?
The InChIKey is FHRUYHQXNFJVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N2O3/c13-10-5-4-9(18(19)20)11(17-10)21-8-3-1-2-7(6-8)12(14,15)16/h1-6H.
What are the key properties of 6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine?
6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine has a molecular weight of 318.64 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine is sourced from PubChem (CID 61057396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).