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

C14H11ClF3NO — CID 14425986

IUPAC2-(chloromethyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine
SMILESFC(F)(F)c1ccc(COc2ccnc(CCl)c2)cc1
InChIInChI=1S/C14H11ClF3NO/c15-8-12-7-13(5-6-19-12)20-9-10-1-3-11(4-2-10)14(16,17)18/h1-7H,8-9H2
InChIKeyHMSAMVKHCMIHAD-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.42
Rot. Bonds4

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

2-(chloromethyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine (PubChem CID 14425986) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is 2-(chloromethyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine
PubChem CID14425986
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name2-(chloromethyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine
SMILESFC(F)(F)c1ccc(COc2ccnc(CCl)c2)cc1
InChIInChI=1S/C14H11ClF3NO/c15-8-12-7-13(5-6-19-12)20-9-10-1-3-11(4-2-10)14(16,17)18/h1-7H,8-9H2
InChIKeyHMSAMVKHCMIHAD-UHFFFAOYSA-N
XLogP4.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine?
The IUPAC name of 2-(chloromethyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine (CID 14425986) is 2-(chloromethyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine.
What is the SMILES notation for 2-(chloromethyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine?
The canonical SMILES for 2-(chloromethyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine is FC(F)(F)c1ccc(COc2ccnc(CCl)c2)cc1.
What is the InChIKey of 2-(chloromethyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine?
The InChIKey is HMSAMVKHCMIHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c15-8-12-7-13(5-6-19-12)20-9-10-1-3-11(4-2-10)14(16,17)18/h1-7H,8-9H2.
What are the key properties of 2-(chloromethyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine?
2-(chloromethyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine has a molecular weight of 301.70 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine is sourced from PubChem (CID 14425986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).