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

C7H4ClF4NO — CID 130092145

IUPAC3-(chloromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine
SMILESFc1nc(OC(F)(F)F)ccc1CCl
InChIInChI=1S/C7H4ClF4NO/c8-3-4-1-2-5(13-6(4)9)14-7(10,11)12/h1-2H,3H2
InChIKeyBLQNZQCUCCGTHA-UHFFFAOYSA-N
MW229.56 g/mol
LogP2.86
Rot. Bonds2

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

3-(chloromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine (PubChem CID 130092145) has the molecular formula C7H4ClF4NO and a molecular weight of 229.56 g/mol. Its IUPAC name is 3-(chloromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine
PubChem CID130092145
Molecular FormulaC7H4ClF4NO
Molecular Weight229.56 g/mol
Exact Mass228.99
IUPAC Name3-(chloromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine
SMILESFc1nc(OC(F)(F)F)ccc1CCl
InChIInChI=1S/C7H4ClF4NO/c8-3-4-1-2-5(13-6(4)9)14-7(10,11)12/h1-2H,3H2
InChIKeyBLQNZQCUCCGTHA-UHFFFAOYSA-N
XLogP2.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.56
LogP ≤ 52.86
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-fluoro-3-iodo-6-(trifluoromethoxy)pyridine
CID 130091976
[2-bromo-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089420
[2-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130093233
2-[5-(chloromethyl)-6-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134665410
1-(chloromethyl)-4-fluoro-2-(trifluoromethoxy)benzene
CID 130937502
2-(chloromethyl)-1-ethyl-4-(trifluoromethoxy)benzene
CID 170998693
2-chloro-4-(chloromethyl)-3-(trifluoromethoxy)aniline
CID 131324862
6-(trifluoromethoxy)pyridine-2,3-diamine
CID 118991615
1-(chloromethyl)-2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118850748
5-(chloromethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134658888
3-(chloromethyl)-2,6-bis(trifluoromethyl)pyridine
CID 131492152
3-(chloromethyl)-4-fluoro-5-(trifluoromethoxy)aniline
CID 131611979

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine?
The IUPAC name of 3-(chloromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine (CID 130092145) is 3-(chloromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-(chloromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine is Fc1nc(OC(F)(F)F)ccc1CCl.
What is the InChIKey of 3-(chloromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine?
The InChIKey is BLQNZQCUCCGTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF4NO/c8-3-4-1-2-5(13-6(4)9)14-7(10,11)12/h1-2H,3H2.
What are the key properties of 3-(chloromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine?
3-(chloromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine has a molecular weight of 229.56 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130092145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).