5-(chloromethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine

C8H3ClF7NO — CID 134658888

IUPAC5-(chloromethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
SMILESFc1ncc(CCl)c(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H3ClF7NO/c9-1-3-2-17-6(10)4(7(11,12)13)5(3)18-8(14,15)16/h2H,1H2
InChIKeyPQVCLXHQSDIRBB-UHFFFAOYSA-N
MW297.56 g/mol
LogP3.88
Rot. Bonds2

About 5-(chloromethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine

5-(chloromethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine (PubChem CID 134658888) has the molecular formula C8H3ClF7NO and a molecular weight of 297.56 g/mol. Its IUPAC name is 5-(chloromethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
PubChem CID134658888
Molecular FormulaC8H3ClF7NO
Molecular Weight297.56 g/mol
Exact Mass296.98
IUPAC Name5-(chloromethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
SMILESFc1ncc(CCl)c(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H3ClF7NO/c9-1-3-2-17-6(10)4(7(11,12)13)5(3)18-8(14,15)16/h2H,1H2
InChIKeyPQVCLXHQSDIRBB-UHFFFAOYSA-N
XLogP3.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.56
LogP ≤ 53.88
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

5-(chloromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134682439
ethyl 2-[5-(chloromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 134665355
5-(chloromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134671813
4-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine
CID 118704205
5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119007700
[5-(chloromethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 134671793
5-(chloromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134666145
[4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130094285
methyl 5-(chloromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134669027
5-(chloromethyl)-2-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679465
2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134671232
methyl 5-(chloromethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate
CID 134668049

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The IUPAC name of 5-(chloromethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine (CID 134658888) is 5-(chloromethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(chloromethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(chloromethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine is Fc1ncc(CCl)c(OC(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 5-(chloromethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The InChIKey is PQVCLXHQSDIRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF7NO/c9-1-3-2-17-6(10)4(7(11,12)13)5(3)18-8(14,15)16/h2H,1H2.
What are the key properties of 5-(chloromethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
5-(chloromethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine has a molecular weight of 297.56 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 134658888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).