3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine

C9H4ClF8NO — CID 134675956

IUPAC3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
SMILESFC(F)c1cc(OC(F)(F)F)nc(C(F)(F)F)c1CCl
InChIInChI=1S/C9H4ClF8NO/c10-2-4-3(7(11)12)1-5(20-9(16,17)18)19-6(4)8(13,14)15/h1,7H,2H2
InChIKeyUHMJSQBLYFBGNB-UHFFFAOYSA-N
MW329.57 g/mol
LogP4.68
Rot. Bonds3

About 3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine

3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine (PubChem CID 134675956) has the molecular formula C9H4ClF8NO and a molecular weight of 329.57 g/mol. Its IUPAC name is 3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
PubChem CID134675956
Molecular FormulaC9H4ClF8NO
Molecular Weight329.57 g/mol
Exact Mass328.99
IUPAC Name3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
SMILESFC(F)c1cc(OC(F)(F)F)nc(C(F)(F)F)c1CCl
InChIInChI=1S/C9H4ClF8NO/c10-2-4-3(7(11)12)1-5(20-9(16,17)18)19-6(4)8(13,14)15/h1,7H,2H2
InChIKeyUHMJSQBLYFBGNB-UHFFFAOYSA-N
XLogP4.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.57
LogP ≤ 54.68
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

4-(difluoromethyl)-3-fluoro-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134665522
3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134670626
2-[3-(chloromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134668042
2-[2-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118804360
3-(chloromethyl)-4-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine
CID 134659593
3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-4-amine
CID 118823698
[4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 133084898
4-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118828825
5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134663455
3-(cyanomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119009167
2-(bromomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134682392
3-(chloromethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 134663465

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine (CID 134675956) is 3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine is FC(F)c1cc(OC(F)(F)F)nc(C(F)(F)F)c1CCl.
What is the InChIKey of 3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The InChIKey is UHMJSQBLYFBGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF8NO/c10-2-4-3(7(11)12)1-5(20-9(16,17)18)19-6(4)8(13,14)15/h1,7H,2H2.
What are the key properties of 3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine has a molecular weight of 329.57 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 134675956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).