5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine

C12H6ClF3N2O3 — CID 82000164

IUPAC5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cn1
InChIInChI=1S/C12H6ClF3N2O3/c13-8-2-4-11(17-6-8)21-10-3-1-7(12(14,15)16)5-9(10)18(19)20/h1-6H
InChIKeyHCIDSAZJAWXARV-UHFFFAOYSA-N
MW318.64 g/mol
LogP4.45
Rot. Bonds3

About 5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine

5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine (PubChem CID 82000164) has the molecular formula C12H6ClF3N2O3 and a molecular weight of 318.64 g/mol. Its IUPAC name is 5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine.

Molecular Properties

Compound Name5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
PubChem CID82000164
Molecular FormulaC12H6ClF3N2O3
Molecular Weight318.64 g/mol
Exact Mass318.00
IUPAC Name5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cn1
InChIInChI=1S/C12H6ClF3N2O3/c13-8-2-4-11(17-6-8)21-10-3-1-7(12(14,15)16)5-9(10)18(19)20/h1-6H
InChIKeyHCIDSAZJAWXARV-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(2,5-difluoro-4-nitrophenoxy)pyridine
CID 66234348
2-chloro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
CID 2779612
2-(4-methoxy-3-nitrophenoxy)-5-(trifluoromethyl)pyridine
CID 166073857
(NZ)-N-[[5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine
CID 126083188
3-chloro-2-(4-methyl-2-nitrophenoxy)-5-(trifluoromethyl)pyridine
CID 24507947
3,5-dichloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzaldehyde
CID 4770149
1-[5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-N-phenylmethanimine
CID 126206232
1-(5-fluoro-2-nitrophenoxy)-2-nitro-4-(trifluoromethyl)benzene
CID 9311790
[3,5-dichloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanol
CID 126123923
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
N-(5-chloro-2-methylphenyl)-1-[5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanimine
CID 126206909
3-[2-nitro-4-(trifluoromethyl)phenoxy]propanenitrile
CID 82000446

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine?
The IUPAC name of 5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine (CID 82000164) is 5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine.
What is the SMILES notation for 5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine?
The canonical SMILES for 5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine is O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine?
The InChIKey is HCIDSAZJAWXARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N2O3/c13-8-2-4-11(17-6-8)21-10-3-1-7(12(14,15)16)5-9(10)18(19)20/h1-6H.
What are the key properties of 5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine?
5-chloro-2-[2-nitro-4-(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 5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine is sourced from PubChem (CID 82000164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).