5-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridine

C13H8ClF4N — CID 66827174

IUPAC5-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridine
SMILESFc1cc(Cc2ccc(Cl)cn2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H8ClF4N/c14-10-1-2-12(19-7-10)5-8-3-9(13(16,17)18)6-11(15)4-8/h1-4,6-7H,5H2
InChIKeyFRMPSSVZOHFKNQ-UHFFFAOYSA-N
MW289.66 g/mol
LogP4.48
Rot. Bonds2

About 5-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridine

5-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridine (PubChem CID 66827174) has the molecular formula C13H8ClF4N and a molecular weight of 289.66 g/mol. Its IUPAC name is 5-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridine
PubChem CID66827174
Molecular FormulaC13H8ClF4N
Molecular Weight289.66 g/mol
Exact Mass289.03
IUPAC Name5-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridine
SMILESFc1cc(Cc2ccc(Cl)cn2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H8ClF4N/c14-10-1-2-12(19-7-10)5-8-3-9(13(16,17)18)6-11(15)4-8/h1-4,6-7H,5H2
InChIKeyFRMPSSVZOHFKNQ-UHFFFAOYSA-N
XLogP4.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.66
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridine?
The IUPAC name of 5-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridine (CID 66827174) is 5-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridine.
What is the SMILES notation for 5-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridine?
The canonical SMILES for 5-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridine is Fc1cc(Cc2ccc(Cl)cn2)cc(C(F)(F)F)c1.
What is the InChIKey of 5-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridine?
The InChIKey is FRMPSSVZOHFKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF4N/c14-10-1-2-12(19-7-10)5-8-3-9(13(16,17)18)6-11(15)4-8/h1-4,6-7H,5H2.
What are the key properties of 5-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridine?
5-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridine has a molecular weight of 289.66 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridine is sourced from PubChem (CID 66827174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).