3-(chloromethyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyridine

C12H8ClF3N2 — CID 131870308

IUPAC3-(chloromethyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(CCl)c(-c2ccncc2)n1
InChIInChI=1S/C12H8ClF3N2/c13-7-9-1-2-10(12(14,15)16)18-11(9)8-3-5-17-6-4-8/h1-6H,7H2
InChIKeyZUKJDVFZTMBIEZ-UHFFFAOYSA-N
MW272.66 g/mol
LogP3.90
Rot. Bonds2

About 3-(chloromethyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyridine

3-(chloromethyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyridine (PubChem CID 131870308) has the molecular formula C12H8ClF3N2 and a molecular weight of 272.66 g/mol. Its IUPAC name is 3-(chloromethyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyridine
PubChem CID131870308
Molecular FormulaC12H8ClF3N2
Molecular Weight272.66 g/mol
Exact Mass272.03
IUPAC Name3-(chloromethyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(CCl)c(-c2ccncc2)n1
InChIInChI=1S/C12H8ClF3N2/c13-7-9-1-2-10(12(14,15)16)18-11(9)8-3-5-17-6-4-8/h1-6H,7H2
InChIKeyZUKJDVFZTMBIEZ-UHFFFAOYSA-N
XLogP3.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.66
LogP ≤ 53.90
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

[2-pyridin-4-yl-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 119006663
3-(chloromethyl)-2,6-bis(trifluoromethyl)pyridine
CID 131492152
3-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyridine
CID 59834815
[2-(4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 118853520
2-(bromomethyl)-3-pyridin-4-yl-6-(trifluoromethyl)pyridine
CID 131869768
4-[4-(chloromethyl)-3-fluorophenyl]pyridine
CID 46315648
5-pyridin-4-yl-2-(trifluoromethyl)pyridine
CID 46316298
[2-(pyridin-4-ylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873449
3-(aminomethyl)-N-(pyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 71503746
[2-(2,6-dichlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 118830580
4-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]pyridine
CID 46316208
4-[4-(chloromethyl)-1H-pyrazol-5-yl]pyridine
CID 121212215

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyridine?
The IUPAC name of 3-(chloromethyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyridine (CID 131870308) is 3-(chloromethyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(chloromethyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(CCl)c(-c2ccncc2)n1.
What is the InChIKey of 3-(chloromethyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyridine?
The InChIKey is ZUKJDVFZTMBIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2/c13-7-9-1-2-10(12(14,15)16)18-11(9)8-3-5-17-6-4-8/h1-6H,7H2.
What are the key properties of 3-(chloromethyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyridine?
3-(chloromethyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyridine has a molecular weight of 272.66 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 131870308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).