methyl 3-[2-[4-(trifluoromethyl)phenyl]prop-1-enyl]pyridine-4-carboxylate

C17H14F3NO2 — CID 175210407

IUPACmethyl 3-[2-[4-(trifluoromethyl)phenyl]prop-1-enyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1C=C(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NO2/c1-11(12-3-5-14(6-4-12)17(18,19)20)9-13-10-21-8-7-15(13)16(22)23-2/h3-10H,1-2H3
InChIKeyMOBYMUCAYBEEGU-UHFFFAOYSA-N
MW321.30 g/mol
LogP4.45
Rot. Bonds3

About methyl 3-[2-[4-(trifluoromethyl)phenyl]prop-1-enyl]pyridine-4-carboxylate

methyl 3-[2-[4-(trifluoromethyl)phenyl]prop-1-enyl]pyridine-4-carboxylate (PubChem CID 175210407) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is methyl 3-[2-[4-(trifluoromethyl)phenyl]prop-1-enyl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-[4-(trifluoromethyl)phenyl]prop-1-enyl]pyridine-4-carboxylate
PubChem CID175210407
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Namemethyl 3-[2-[4-(trifluoromethyl)phenyl]prop-1-enyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1C=C(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NO2/c1-11(12-3-5-14(6-4-12)17(18,19)20)9-13-10-21-8-7-15(13)16(22)23-2/h3-10H,1-2H3
InChIKeyMOBYMUCAYBEEGU-UHFFFAOYSA-N
XLogP4.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]prop-1-enyl]pyridine-4-carboxamide
CID 154976259
methanol;methyl 3-(trifluoromethyl)pyridine-4-carboxylate;3-(trifluoromethyl)pyridine-4-carbonyl chloride
CID 158055243
methyl 3-(trifluoromethylsulfonyloxy)pyridine-4-carboxylate
CID 139986316
(Z)-N-isoquinolin-5-yl-3-[4-(trifluoromethyl)phenyl]but-2-enamide
CID 10021149
methyl 3-(ethenylamino)pyridine-4-carboxylate
CID 144656396
methyl 3-chloropyridine-4-carboxylate
CID 15324397
methyl 4-fluoropyridine-3-carboxylate
CID 46311150
methyl 3-[3-acetamido-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]pyridine-4-carboxylate
CID 170808381
4-[(E)-2-phenylprop-1-enyl]pyridine-3-carboxamide
CID 13464007
methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate
CID 2440555
methyl 3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]pyridine-4-carboxylate
CID 170490904
acetic acid;4-(trifluoromethyl)pyridine;hydrobromide
CID 174739301

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[4-(trifluoromethyl)phenyl]prop-1-enyl]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[2-[4-(trifluoromethyl)phenyl]prop-1-enyl]pyridine-4-carboxylate (CID 175210407) is methyl 3-[2-[4-(trifluoromethyl)phenyl]prop-1-enyl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[2-[4-(trifluoromethyl)phenyl]prop-1-enyl]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[2-[4-(trifluoromethyl)phenyl]prop-1-enyl]pyridine-4-carboxylate is COC(=O)c1ccncc1C=C(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl 3-[2-[4-(trifluoromethyl)phenyl]prop-1-enyl]pyridine-4-carboxylate?
The InChIKey is MOBYMUCAYBEEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO2/c1-11(12-3-5-14(6-4-12)17(18,19)20)9-13-10-21-8-7-15(13)16(22)23-2/h3-10H,1-2H3.
What are the key properties of methyl 3-[2-[4-(trifluoromethyl)phenyl]prop-1-enyl]pyridine-4-carboxylate?
methyl 3-[2-[4-(trifluoromethyl)phenyl]prop-1-enyl]pyridine-4-carboxylate has a molecular weight of 321.30 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[4-(trifluoromethyl)phenyl]prop-1-enyl]pyridine-4-carboxylate is sourced from PubChem (CID 175210407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).