4-chloro-2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-ylpyridine

C15H10ClF4NO — CID 118211174

IUPAC4-chloro-2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-ylpyridine
SMILESC=C(C)c1cnc(-c2cc(OC(F)(F)F)ccc2F)cc1Cl
InChIInChI=1S/C15H10ClF4NO/c1-8(2)11-7-21-14(6-12(11)16)10-5-9(3-4-13(10)17)22-15(18,19)20/h3-7H,1H2,2H3
InChIKeyVQOYCKXOXFKBCD-UHFFFAOYSA-N
MW331.70 g/mol
LogP5.47
Rot. Bonds3

About 4-chloro-2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-ylpyridine

4-chloro-2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-ylpyridine (PubChem CID 118211174) has the molecular formula C15H10ClF4NO and a molecular weight of 331.70 g/mol. Its IUPAC name is 4-chloro-2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name4-chloro-2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-ylpyridine
PubChem CID118211174
Molecular FormulaC15H10ClF4NO
Molecular Weight331.70 g/mol
Exact Mass331.04
IUPAC Name4-chloro-2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-ylpyridine
SMILESC=C(C)c1cnc(-c2cc(OC(F)(F)F)ccc2F)cc1Cl
InChIInChI=1S/C15H10ClF4NO/c1-8(2)11-7-21-14(6-12(11)16)10-5-9(3-4-13(10)17)22-15(18,19)20/h3-7H,1H2,2H3
InChIKeyVQOYCKXOXFKBCD-UHFFFAOYSA-N
XLogP5.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.70
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-ylpyridine?
The IUPAC name of 4-chloro-2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-ylpyridine (CID 118211174) is 4-chloro-2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-ylpyridine.
What is the SMILES notation for 4-chloro-2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-ylpyridine?
The canonical SMILES for 4-chloro-2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-ylpyridine is C=C(C)c1cnc(-c2cc(OC(F)(F)F)ccc2F)cc1Cl.
What is the InChIKey of 4-chloro-2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-ylpyridine?
The InChIKey is VQOYCKXOXFKBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF4NO/c1-8(2)11-7-21-14(6-12(11)16)10-5-9(3-4-13(10)17)22-15(18,19)20/h3-7H,1H2,2H3.
What are the key properties of 4-chloro-2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-ylpyridine?
4-chloro-2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-ylpyridine has a molecular weight of 331.70 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-ylpyridine is sourced from PubChem (CID 118211174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).