4-(chloromethyl)-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine

C14H8ClF6N — CID 165342868

IUPAC4-(chloromethyl)-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cccc(-c2c(CCl)ccnc2C(F)(F)F)c1
InChIInChI=1S/C14H8ClF6N/c15-7-9-4-5-22-12(14(19,20)21)11(9)8-2-1-3-10(6-8)13(16,17)18/h1-6H,7H2
InChIKeyVNINEANOMNQBKB-UHFFFAOYSA-N
MW339.67 g/mol
LogP5.53
Rot. Bonds2

About 4-(chloromethyl)-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine

4-(chloromethyl)-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 165342868) has the molecular formula C14H8ClF6N and a molecular weight of 339.67 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine
PubChem CID165342868
Molecular FormulaC14H8ClF6N
Molecular Weight339.67 g/mol
Exact Mass339.02
IUPAC Name4-(chloromethyl)-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cccc(-c2c(CCl)ccnc2C(F)(F)F)c1
InChIInChI=1S/C14H8ClF6N/c15-7-9-4-5-22-12(14(19,20)21)11(9)8-2-1-3-10(6-8)13(16,17)18/h1-6H,7H2
InChIKeyVNINEANOMNQBKB-UHFFFAOYSA-N
XLogP5.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.67
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 55114299
2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 119001070
2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene
CID 134626202
2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile
CID 134618427
8-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]quinoline
CID 58154748
1,2,3,4,5-pentachloro-6-[3-(trifluoromethyl)phenyl]benzene
CID 134617383
[4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 50961962
1,3-bis(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 57112029
2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623990
1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene
CID 119011151
2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine
CID 119006662
2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091916

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-(chloromethyl)-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine (CID 165342868) is 4-(chloromethyl)-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-(chloromethyl)-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-(chloromethyl)-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1cccc(-c2c(CCl)ccnc2C(F)(F)F)c1.
What is the InChIKey of 4-(chloromethyl)-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is VNINEANOMNQBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF6N/c15-7-9-4-5-22-12(14(19,20)21)11(9)8-2-1-3-10(6-8)13(16,17)18/h1-6H,7H2.
What are the key properties of 4-(chloromethyl)-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine?
4-(chloromethyl)-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 339.67 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 165342868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).