2-(2-phenylethenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid

C15H10F3NO2 — CID 174577070

IUPAC2-(2-phenylethenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)ccnc1C=Cc1ccccc1
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)11-8-9-19-12(13(11)14(20)21)7-6-10-4-2-1-3-5-10/h1-9H,(H,20,21)
InChIKeyGPPRXIKBCIHBKE-UHFFFAOYSA-N
MW293.24 g/mol
LogP3.97
Rot. Bonds3

About 2-(2-phenylethenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid

2-(2-phenylethenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 174577070) has the molecular formula C15H10F3NO2 and a molecular weight of 293.24 g/mol. Its IUPAC name is 2-(2-phenylethenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-phenylethenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID174577070
Molecular FormulaC15H10F3NO2
Molecular Weight293.24 g/mol
Exact Mass293.07
IUPAC Name2-(2-phenylethenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)ccnc1C=Cc1ccccc1
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)11-8-9-19-12(13(11)14(20)21)7-6-10-4-2-1-3-5-10/h1-9H,(H,20,21)
InChIKeyGPPRXIKBCIHBKE-UHFFFAOYSA-N
XLogP3.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-bis[(E)-2-phenylethenyl]pyrazine
CID 15654808
2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118830649
2-(2,3-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118830530
3-phenoxy-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 154447093
3-methyl-2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid
CID 84819262
4-phenyl-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 133095875
2-pyridin-4-yl-6-(trifluoromethyl)benzoic acid
CID 46316119
2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118802456
3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)phenol
CID 161256032
acetic acid;stilbene
CID 172803728
5-phenyl-2-[(E)-2-phenylethenyl]pyridine-3-carboxylic acid
CID 142817182
3-amino-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 131117139

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-phenylethenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid (CID 174577070) is 2-(2-phenylethenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-phenylethenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-phenylethenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1c(C(F)(F)F)ccnc1C=Cc1ccccc1.
What is the InChIKey of 2-(2-phenylethenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is GPPRXIKBCIHBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2/c16-15(17,18)11-8-9-19-12(13(11)14(20)21)7-6-10-4-2-1-3-5-10/h1-9H,(H,20,21).
What are the key properties of 2-(2-phenylethenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(2-phenylethenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 293.24 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 174577070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).