4-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine

C7H4Cl2F3NO — CID 130089786

IUPAC4-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1c(Cl)ccnc1CCl
InChIInChI=1S/C7H4Cl2F3NO/c8-3-5-6(14-7(10,11)12)4(9)1-2-13-5/h1-2H,3H2
InChIKeyRZPVAYVBTNAFMI-UHFFFAOYSA-N
MW246.02 g/mol
LogP3.37
Rot. Bonds2

About 4-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine

4-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine (PubChem CID 130089786) has the molecular formula C7H4Cl2F3NO and a molecular weight of 246.02 g/mol. Its IUPAC name is 4-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine
PubChem CID130089786
Molecular FormulaC7H4Cl2F3NO
Molecular Weight246.02 g/mol
Exact Mass244.96
IUPAC Name4-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1c(Cl)ccnc1CCl
InChIInChI=1S/C7H4Cl2F3NO/c8-3-5-6(14-7(10,11)12)4(9)1-2-13-5/h1-2H,3H2
InChIKeyRZPVAYVBTNAFMI-UHFFFAOYSA-N
XLogP3.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.02
LogP ≤ 53.37
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

6-(chloromethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 130112453
[4-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089738
2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134671232
6-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine
CID 130089776
2-(chloromethyl)-5-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol
CID 118838341
[4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118831271
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
5-chloro-4-(trifluoromethoxy)-2H-benzotriazole
CID 22182711
3-chloro-2-(trifluoromethoxy)phenol
CID 67274818
2-(chloromethyl)-3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine
CID 118826839
4-chloro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118817072
[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118814252

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine?
The IUPAC name of 4-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine (CID 130089786) is 4-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine is FC(F)(F)Oc1c(Cl)ccnc1CCl.
What is the InChIKey of 4-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine?
The InChIKey is RZPVAYVBTNAFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F3NO/c8-3-5-6(14-7(10,11)12)4(9)1-2-13-5/h1-2H,3H2.
What are the key properties of 4-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine?
4-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine has a molecular weight of 246.02 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130089786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).