3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]pyridine-4-carboxylic acid

C15H10F3NO3 — CID 150580636

IUPAC3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1/C=C/c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H10F3NO3/c16-15(17,18)22-12-5-2-10(3-6-12)1-4-11-9-19-8-7-13(11)14(20)21/h1-9H,(H,20,21)/b4-1+
InChIKeyINTDGHUXULPETK-DAFODLJHSA-N
MW309.24 g/mol
LogP3.85
Rot. Bonds4

About 3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]pyridine-4-carboxylic acid

3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]pyridine-4-carboxylic acid (PubChem CID 150580636) has the molecular formula C15H10F3NO3 and a molecular weight of 309.24 g/mol. Its IUPAC name is 3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]pyridine-4-carboxylic acid
PubChem CID150580636
Molecular FormulaC15H10F3NO3
Molecular Weight309.24 g/mol
Exact Mass309.06
IUPAC Name3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1/C=C/c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H10F3NO3/c16-15(17,18)22-12-5-2-10(3-6-12)1-4-11-9-19-8-7-13(11)14(20)21/h1-9H,(H,20,21)/b4-1+
InChIKeyINTDGHUXULPETK-DAFODLJHSA-N
XLogP3.85
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 735857
1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
CID 23625072
3-[4-[4-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 70242654
1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene
CID 138115533
(2S)-2-ethyl-4,4-difluoro-1-[4-oxo-4-[3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-4-pyridinyl]butanoyl]pyrrolidine-2-carbonitrile
CID 158172540
(3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 53414396
methyl 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzoate
CID 66707351
2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazole
CID 141125841
3-(4-bromobut-1-enyl)pyridine-4-carboxylic acid
CID 170497521
4-[2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline
CID 72575162
4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline
CID 59838870
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]pyridine-4-carboxylic acid (CID 150580636) is 3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]pyridine-4-carboxylic acid is O=C(O)c1ccncc1/C=C/c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]pyridine-4-carboxylic acid?
The InChIKey is INTDGHUXULPETK-DAFODLJHSA-N. The full InChI is InChI=1S/C15H10F3NO3/c16-15(17,18)22-12-5-2-10(3-6-12)1-4-11-9-19-8-7-13(11)14(20)21/h1-9H,(H,20,21)/b4-1+.
What are the key properties of 3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]pyridine-4-carboxylic acid?
3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]pyridine-4-carboxylic acid has a molecular weight of 309.24 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 150580636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).