5-propyl-2-[4-(trifluoromethoxy)phenyl]pyridine

C15H14F3NO — CID 836141

IUPAC5-propyl-2-[4-(trifluoromethoxy)phenyl]pyridine
SMILESCCCc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1
InChIInChI=1S/C15H14F3NO/c1-2-3-11-4-9-14(19-10-11)12-5-7-13(8-6-12)20-15(16,17)18/h4-10H,2-3H2,1H3
InChIKeyMHZXSTFDEJEOIP-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.60
Rot. Bonds4

About 5-propyl-2-[4-(trifluoromethoxy)phenyl]pyridine

5-propyl-2-[4-(trifluoromethoxy)phenyl]pyridine (PubChem CID 836141) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 5-propyl-2-[4-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name5-propyl-2-[4-(trifluoromethoxy)phenyl]pyridine
PubChem CID836141
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name5-propyl-2-[4-(trifluoromethoxy)phenyl]pyridine
SMILESCCCc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1
InChIInChI=1S/C15H14F3NO/c1-2-3-11-4-9-14(19-10-11)12-5-7-13(8-6-12)20-15(16,17)18/h4-10H,2-3H2,1H3
InChIKeyMHZXSTFDEJEOIP-UHFFFAOYSA-N
XLogP4.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3E)-3-((2,4-Dimethoxyphenyl)methylene)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 5310985
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
4-Methoxyquinoline
CID 521938
3-(5-Methoxy-1H-inden-2-yl)pyridine
CID 6540048
3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540049
3-(7-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540057
7-Methoxy-3-pyridin-4-yl-quinoline
CID 11776270
US10155760, Example 45
CID 118419778
US10155760, Example 37
CID 118420200
US10155760, Example 50
CID 118429668
US10155760, Example 35
CID 118429827
Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242

Frequently Asked Questions

What is the IUPAC name of 5-propyl-2-[4-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 5-propyl-2-[4-(trifluoromethoxy)phenyl]pyridine (CID 836141) is 5-propyl-2-[4-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 5-propyl-2-[4-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 5-propyl-2-[4-(trifluoromethoxy)phenyl]pyridine is CCCc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1.
What is the InChIKey of 5-propyl-2-[4-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is MHZXSTFDEJEOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-2-3-11-4-9-14(19-10-11)12-5-7-13(8-6-12)20-15(16,17)18/h4-10H,2-3H2,1H3.
What are the key properties of 5-propyl-2-[4-(trifluoromethoxy)phenyl]pyridine?
5-propyl-2-[4-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 281.28 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-[4-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 836141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).