2-chloro-4-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine

C13H9ClF3NO2 — CID 115696982

IUPAC2-chloro-4-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine
SMILESFC(F)(F)Oc1ccc(OCc2ccnc(Cl)c2)cc1
InChIInChI=1S/C13H9ClF3NO2/c14-12-7-9(5-6-18-12)8-19-10-1-3-11(4-2-10)20-13(15,16)17/h1-7H,8H2
InChIKeyJKHHPQQOUPZRQF-UHFFFAOYSA-N
MW303.67 g/mol
LogP4.21
Rot. Bonds4

About 2-chloro-4-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine

2-chloro-4-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine (PubChem CID 115696982) has the molecular formula C13H9ClF3NO2 and a molecular weight of 303.67 g/mol. Its IUPAC name is 2-chloro-4-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine
PubChem CID115696982
Molecular FormulaC13H9ClF3NO2
Molecular Weight303.67 g/mol
Exact Mass303.03
IUPAC Name2-chloro-4-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine
SMILESFC(F)(F)Oc1ccc(OCc2ccnc(Cl)c2)cc1
InChIInChI=1S/C13H9ClF3NO2/c14-12-7-9(5-6-18-12)8-19-10-1-3-11(4-2-10)20-13(15,16)17/h1-7H,8H2
InChIKeyJKHHPQQOUPZRQF-UHFFFAOYSA-N
XLogP4.21
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[(4-fluorophenoxy)methyl]pyridine
CID 62299799
2-chloro-4-[[4-(2-fluoropropan-2-yl)phenoxy]methyl]pyridine
CID 170054292
2-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine
CID 80523929
2-chloro-4-(2,2,2-trifluoroethoxymethyl)pyridine
CID 62470096
1-[(2-chloro-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 87457281
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol
CID 115969593
2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine
CID 78987592
[3-[(2-chloro-4-pyridinyl)methoxy]phenyl]methanol
CID 62472318
2-chloro-4-(4,4,4-trifluorobutoxymethyl)pyridine
CID 82788913
5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzene-1,3-diamine
CID 58289339
3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde
CID 91655985

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine?
The IUPAC name of 2-chloro-4-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine (CID 115696982) is 2-chloro-4-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine.
What is the SMILES notation for 2-chloro-4-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine?
The canonical SMILES for 2-chloro-4-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine is FC(F)(F)Oc1ccc(OCc2ccnc(Cl)c2)cc1.
What is the InChIKey of 2-chloro-4-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine?
The InChIKey is JKHHPQQOUPZRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO2/c14-12-7-9(5-6-18-12)8-19-10-1-3-11(4-2-10)20-13(15,16)17/h1-7H,8H2.
What are the key properties of 2-chloro-4-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine?
2-chloro-4-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine has a molecular weight of 303.67 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine is sourced from PubChem (CID 115696982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).