3-chloro-2-(4-methyl-2-nitrophenoxy)-5-(trifluoromethyl)pyridine

C13H8ClF3N2O3 — CID 24507947

IUPAC3-chloro-2-(4-methyl-2-nitrophenoxy)-5-(trifluoromethyl)pyridine
SMILESCc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H8ClF3N2O3/c1-7-2-3-11(10(4-7)19(20)21)22-12-9(14)5-8(6-18-12)13(15,16)17/h2-6H,1H3
InChIKeyIMZXWXFIUBWYTD-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.76
Rot. Bonds3

About 3-chloro-2-(4-methyl-2-nitrophenoxy)-5-(trifluoromethyl)pyridine

3-chloro-2-(4-methyl-2-nitrophenoxy)-5-(trifluoromethyl)pyridine (PubChem CID 24507947) has the molecular formula C13H8ClF3N2O3 and a molecular weight of 332.67 g/mol. Its IUPAC name is 3-chloro-2-(4-methyl-2-nitrophenoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(4-methyl-2-nitrophenoxy)-5-(trifluoromethyl)pyridine
PubChem CID24507947
Molecular FormulaC13H8ClF3N2O3
Molecular Weight332.67 g/mol
Exact Mass332.02
IUPAC Name3-chloro-2-(4-methyl-2-nitrophenoxy)-5-(trifluoromethyl)pyridine
SMILESCc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H8ClF3N2O3/c1-7-2-3-11(10(4-7)19(20)21)22-12-9(14)5-8(6-18-12)13(15,16)17/h2-6H,1H3
InChIKeyIMZXWXFIUBWYTD-UHFFFAOYSA-N
XLogP4.76
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 54.76
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-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-methyl-2-nitrophenyl]-hydroxy-oxophosphanium
CID 70457047
2-chloro-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-nitrophenyl]-5-nitrobenzamide
CID 58737129
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914
5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
CID 82000164
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-chloropyridine
CID 103583721
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-(trifluoromethyl)benzenesulfonyl chloride
CID 87206404
2-(4-methoxy-3-nitrophenoxy)-5-(trifluoromethyl)pyridine
CID 166073857
5-bromo-2-(4-methyl-2-nitrophenoxy)pyridine
CID 61374554
2-[4-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-nitrophenoxy]phenoxy]acetic acid
CID 19932417
1-(5-chloro-2-nitrophenoxy)-4-methyl-2-nitrobenzene
CID 133389386
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluoroaniline
CID 76851699
5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine
CID 103583671

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-methyl-2-nitrophenoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(4-methyl-2-nitrophenoxy)-5-(trifluoromethyl)pyridine (CID 24507947) is 3-chloro-2-(4-methyl-2-nitrophenoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(4-methyl-2-nitrophenoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(4-methyl-2-nitrophenoxy)-5-(trifluoromethyl)pyridine is Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 3-chloro-2-(4-methyl-2-nitrophenoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is IMZXWXFIUBWYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O3/c1-7-2-3-11(10(4-7)19(20)21)22-12-9(14)5-8(6-18-12)13(15,16)17/h2-6H,1H3.
What are the key properties of 3-chloro-2-(4-methyl-2-nitrophenoxy)-5-(trifluoromethyl)pyridine?
3-chloro-2-(4-methyl-2-nitrophenoxy)-5-(trifluoromethyl)pyridine has a molecular weight of 332.67 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-methyl-2-nitrophenoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 24507947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).