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

C14H8ClF6NO — CID 118801728

IUPAC4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1ccccc1-c1nccc(CCl)c1C(F)(F)F
InChIInChI=1S/C14H8ClF6NO/c15-7-8-5-6-22-12(11(8)13(16,17)18)9-3-1-2-4-10(9)23-14(19,20)21/h1-6H,7H2
InChIKeyYVOMMYGLTOLUBC-UHFFFAOYSA-N
MW355.67 g/mol
LogP5.40
Rot. Bonds3

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

4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine (PubChem CID 118801728) has the molecular formula C14H8ClF6NO and a molecular weight of 355.67 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine
PubChem CID118801728
Molecular FormulaC14H8ClF6NO
Molecular Weight355.67 g/mol
Exact Mass355.02
IUPAC Name4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1ccccc1-c1nccc(CCl)c1C(F)(F)F
InChIInChI=1S/C14H8ClF6NO/c15-7-8-5-6-22-12(11(8)13(16,17)18)9-3-1-2-4-10(9)23-14(19,20)21/h1-6H,7H2
InChIKeyYVOMMYGLTOLUBC-UHFFFAOYSA-N
XLogP5.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.67
LogP ≤ 55.40
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

1-(chloromethyl)-2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118850748
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine
CID 119003076
3-chloro-2-fluoro-4-[2-(trifluoromethoxy)phenyl]pyridine
CID 133088932
2,4-dichloro-3-[2-(trifluoromethoxy)phenyl]pyridine
CID 134617905
4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 134627368
4-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine
CID 118704205
1-(chloromethoxymethyl)-2-(trifluoromethoxy)benzene
CID 166609590
2-[3,5-dichloro-2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134623593
4-(chloromethyl)-2,3-bis(2-fluorophenyl)pyridine
CID 131869976
[1-methyl-3-[2-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanamine
CID 79484440
4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene
CID 134629903

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine?
The IUPAC name of 4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine (CID 118801728) is 4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine is FC(F)(F)Oc1ccccc1-c1nccc(CCl)c1C(F)(F)F.
What is the InChIKey of 4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine?
The InChIKey is YVOMMYGLTOLUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF6NO/c15-7-8-5-6-22-12(11(8)13(16,17)18)9-3-1-2-4-10(9)23-14(19,20)21/h1-6H,7H2.
What are the key properties of 4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine?
4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine has a molecular weight of 355.67 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 118801728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).