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

C7H4Cl2F3NO — CID 130089776

IUPAC6-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1ccc(Cl)nc1CCl
InChIInChI=1S/C7H4Cl2F3NO/c8-3-4-5(14-7(10,11)12)1-2-6(9)13-4/h1-2H,3H2
InChIKeyJSEKYVTYRYGKGS-UHFFFAOYSA-N
MW246.02 g/mol
LogP3.37
Rot. Bonds2

About 6-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine

6-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine (PubChem CID 130089776) has the molecular formula C7H4Cl2F3NO and a molecular weight of 246.02 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name6-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine
PubChem CID130089776
Molecular FormulaC7H4Cl2F3NO
Molecular Weight246.02 g/mol
Exact Mass244.96
IUPAC Name6-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1ccc(Cl)nc1CCl
InChIInChI=1S/C7H4Cl2F3NO/c8-3-4-5(14-7(10,11)12)1-2-6(9)13-4/h1-2H,3H2
InChIKeyJSEKYVTYRYGKGS-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)pyridine
CID 118804265
6-chloro-3-(trifluoromethoxy)pyridin-2-amine
CID 118991079
2-[6-chloro-3-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133094133
4-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine
CID 130089786
2,3,6-trichloro-4-(trifluoromethoxy)pyridine
CID 119007597
6-(chloromethyl)-2-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118826840
[6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130089838
3-chloro-2-(chloromethyl)-6-(trifluoromethoxy)aniline
CID 118999388
[6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089749
2-(chloromethyl)-6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 130113375
2-chloro-4-(trifluoromethoxy)quinoline
CID 150452765
6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134671081

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine?
The IUPAC name of 6-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine (CID 130089776) is 6-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 6-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 6-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine is FC(F)(F)Oc1ccc(Cl)nc1CCl.
What is the InChIKey of 6-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine?
The InChIKey is JSEKYVTYRYGKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F3NO/c8-3-4-5(14-7(10,11)12)1-2-6(9)13-4/h1-2H,3H2.
What are the key properties of 6-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine?
6-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 6-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130089776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).