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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Related Compounds

6-aminohexan-3-ol;5-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridine;ethane;formaldehyde;(2Z,4Z)-hepta-2,4-diene;methanamine
CID 143473331
5-chloro-2-[[3-fluoro-5-(1,2,2-trifluoroethoxy)phenyl]methyl]pyridine
CID 143473701
2-aminoethanol;ethyl acetate;2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyridine;toluene
CID 143474202
3-chloro-4-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 115350293
N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-2-methylpropan-1-amine
CID 58920848
(5-chloro-2-pyridinyl)-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]carbamic acid
CID 69123981
1-chloro-3-fluoro-5-(trifluoromethyl)benzene
CID 19612353
1-[[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]ethanol
CID 143474316
acetaldehyde;acetylene;5-chloro-2-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]pyridine
CID 143474007
1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 58921540
(2S)-1-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]propan-2-ol
CID 58920354
5-chloro-2-[(6-methyl-3-pyridinyl)methyl]pyridine
CID 121264421

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).