5-(chloromethyl)-2-methyl-4-(trifluoromethoxy)pyridine

C8H7ClF3NO — CID 130093298

IUPAC5-(chloromethyl)-2-methyl-4-(trifluoromethoxy)pyridine
SMILESCc1cc(OC(F)(F)F)c(CCl)cn1
InChIInChI=1S/C8H7ClF3NO/c1-5-2-7(14-8(10,11)12)6(3-9)4-13-5/h2,4H,3H2,1H3
InChIKeyZYUMPUDJHRHKSK-UHFFFAOYSA-N
MW225.60 g/mol
LogP3.03
Rot. Bonds2

About 5-(chloromethyl)-2-methyl-4-(trifluoromethoxy)pyridine

5-(chloromethyl)-2-methyl-4-(trifluoromethoxy)pyridine (PubChem CID 130093298) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 5-(chloromethyl)-2-methyl-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-methyl-4-(trifluoromethoxy)pyridine
PubChem CID130093298
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name5-(chloromethyl)-2-methyl-4-(trifluoromethoxy)pyridine
SMILESCc1cc(OC(F)(F)F)c(CCl)cn1
InChIInChI=1S/C8H7ClF3NO/c1-5-2-7(14-8(10,11)12)6(3-9)4-13-5/h2,4H,3H2,1H3
InChIKeyZYUMPUDJHRHKSK-UHFFFAOYSA-N
XLogP3.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 53.03
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-(1,1,1-trifluoropropan-2-yloxy)pyridine
CID 81233559
5-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenoxy]pyridine
CID 81235542
4-chloro-2-methyl-5-(trifluoromethoxy)pyridine
CID 70832767
5-(chloromethyl)-2-methyl-4-(2-propan-2-ylphenoxy)pyridine
CID 81234196
5-(chloromethyl)-4-(2-chlorophenoxy)-2-methylpyridine
CID 81233947
5-(chloromethyl)-2,4-dimethylpyridine;hydrochloride
CID 155822261
5-(chloromethyl)-4-ethyl-2-methylpyridine
CID 168797453
4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine
CID 81233958
1-(chloromethyl)-4-fluoro-2-(trifluoromethoxy)benzene
CID 130937502
[6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089748
5-(chloromethyl)-2-methyl-4-(3-pyridin-4-ylpropoxy)pyridine
CID 81235009
5-(chloromethyl)-4-(1-ethylpyrazol-4-yl)oxy-2-methylpyridine
CID 116802686

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-methyl-4-(trifluoromethoxy)pyridine?
The IUPAC name of 5-(chloromethyl)-2-methyl-4-(trifluoromethoxy)pyridine (CID 130093298) is 5-(chloromethyl)-2-methyl-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 5-(chloromethyl)-2-methyl-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 5-(chloromethyl)-2-methyl-4-(trifluoromethoxy)pyridine is Cc1cc(OC(F)(F)F)c(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-2-methyl-4-(trifluoromethoxy)pyridine?
The InChIKey is ZYUMPUDJHRHKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c1-5-2-7(14-8(10,11)12)6(3-9)4-13-5/h2,4H,3H2,1H3.
What are the key properties of 5-(chloromethyl)-2-methyl-4-(trifluoromethoxy)pyridine?
5-(chloromethyl)-2-methyl-4-(trifluoromethoxy)pyridine has a molecular weight of 225.60 g/mol, XLogP of 3.03, 2 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-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130093298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).