5-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenoxy]pyridine

C14H11ClF3NO — CID 81235542

IUPAC5-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenoxy]pyridine
SMILESCc1cc(Oc2ccc(C(F)(F)F)cc2)c(CCl)cn1
InChIInChI=1S/C14H11ClF3NO/c1-9-6-13(10(7-15)8-19-9)20-12-4-2-11(3-5-12)14(16,17)18/h2-6,8H,7H2,1H3
InChIKeyBJUGXPJAPQTWRB-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.94
Rot. Bonds3

About 5-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenoxy]pyridine

5-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenoxy]pyridine (PubChem CID 81235542) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is 5-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenoxy]pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenoxy]pyridine
PubChem CID81235542
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name5-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenoxy]pyridine
SMILESCc1cc(Oc2ccc(C(F)(F)F)cc2)c(CCl)cn1
InChIInChI=1S/C14H11ClF3NO/c1-9-6-13(10(7-15)8-19-9)20-12-4-2-11(3-5-12)14(16,17)18/h2-6,8H,7H2,1H3
InChIKeyBJUGXPJAPQTWRB-UHFFFAOYSA-N
XLogP4.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-2-methyl-4-(trifluoromethoxy)pyridine
CID 130093298
4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine
CID 81233958
3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline
CID 107387701
5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine
CID 81233559
5-(chloromethyl)-4-(2-chlorophenoxy)-2-methylpyridine
CID 81233947
5-(chloromethyl)-4-(1-ethylpyrazol-4-yl)oxy-2-methylpyridine
CID 116802686
[4-(4-iodophenoxy)-6-methyl-3-pyridinyl]methanol
CID 81237579
5-(chloromethyl)-2-methyl-4-(2-propan-2-ylphenoxy)pyridine
CID 81234196
N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81250922
[6-methyl-4-(4-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 81238941
[3-methyl-8-[4-(trifluoromethyl)phenoxy]quinolin-5-yl]methanamine
CID 135373975
N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81250354

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenoxy]pyridine?
The IUPAC name of 5-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenoxy]pyridine (CID 81235542) is 5-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenoxy]pyridine.
What is the SMILES notation for 5-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenoxy]pyridine?
The canonical SMILES for 5-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenoxy]pyridine is Cc1cc(Oc2ccc(C(F)(F)F)cc2)c(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenoxy]pyridine?
The InChIKey is BJUGXPJAPQTWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c1-9-6-13(10(7-15)8-19-9)20-12-4-2-11(3-5-12)14(16,17)18/h2-6,8H,7H2,1H3.
What are the key properties of 5-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenoxy]pyridine?
5-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenoxy]pyridine has a molecular weight of 301.70 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenoxy]pyridine is sourced from PubChem (CID 81235542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).