2-chloro-6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridine

C12H6ClF3N2O3 — CID 102715235

IUPAC2-chloro-6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1ccccc1Oc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C12H6ClF3N2O3/c13-10-5-7(12(14,15)16)6-11(17-10)21-9-4-2-1-3-8(9)18(19)20/h1-6H
InChIKeyFZYOSBJDKWOLHW-UHFFFAOYSA-N
MW318.64 g/mol
LogP4.45
Rot. Bonds3

About 2-chloro-6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridine

2-chloro-6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridine (PubChem CID 102715235) has the molecular formula C12H6ClF3N2O3 and a molecular weight of 318.64 g/mol. Its IUPAC name is 2-chloro-6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridine
PubChem CID102715235
Molecular FormulaC12H6ClF3N2O3
Molecular Weight318.64 g/mol
Exact Mass318.00
IUPAC Name2-chloro-6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1ccccc1Oc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C12H6ClF3N2O3/c13-10-5-7(12(14,15)16)6-11(17-10)21-9-4-2-1-3-8(9)18(19)20/h1-6H
InChIKeyFZYOSBJDKWOLHW-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-(2-nitrophenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719899
2-tert-butyl-4-chloro-6-(2-nitrophenoxy)pyrimidine
CID 80943264
2-chloro-6-(2-ethylphenoxy)-4-(trifluoromethyl)pyridine
CID 102715226
6-(2-nitrophenoxy)pyrimidine-2,4-diamine
CID 80875321
3-chloro-6-(2-nitrophenoxy)pyridine-2-carboxylic acid
CID 61030638
N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875231
2-chloro-6-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine
CID 102715210
2-chloro-6-(2-methoxy-4-methylphenoxy)-4-(trifluoromethyl)pyridine
CID 102715215
5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
CID 82000164
2-chloro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
CID 2779612
2-chloro-6-(5-chloro-2-nitrophenoxy)pyridine
CID 63587633
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridine (CID 102715235) is 2-chloro-6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridine is O=[N+]([O-])c1ccccc1Oc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is FZYOSBJDKWOLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N2O3/c13-10-5-7(12(14,15)16)6-11(17-10)21-9-4-2-1-3-8(9)18(19)20/h1-6H.
What are the key properties of 2-chloro-6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridine?
2-chloro-6-(2-nitrophenoxy)-4-(trifluoromethyl)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 2-chloro-6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 102715235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).