methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate

C20H14F3NO3 — CID 11394687

IUPACmethyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1
InChIInChI=1S/C20H14F3NO3/c1-26-19(25)17-10-5-9-16(24-17)14-7-4-6-13(12-14)15-8-2-3-11-18(15)27-20(21,22)23/h2-12H,1H3
InChIKeyXCGNVKZKYMOYJI-UHFFFAOYSA-N
MW373.33 g/mol
LogP5.10
Rot. Bonds4

About methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate

methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate (PubChem CID 11394687) has the molecular formula C20H14F3NO3 and a molecular weight of 373.33 g/mol. Its IUPAC name is methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate
PubChem CID11394687
Molecular FormulaC20H14F3NO3
Molecular Weight373.33 g/mol
Exact Mass373.09
IUPAC Namemethyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1
InChIInChI=1S/C20H14F3NO3/c1-26-19(25)17-10-5-9-16(24-17)14-7-4-6-13(12-14)15-8-2-3-11-18(15)27-20(21,22)23/h2-12H,1H3
InChIKeyXCGNVKZKYMOYJI-UHFFFAOYSA-N
XLogP5.10
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.33
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylate
CID 58774798
methyl 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 134635647
4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide
CID 11371458
4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11360822
1-propan-2-yl-3-[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-yl]urea
CID 11316139
methyl 3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoate
CID 134634001
N-[(2R)-1-amino-1-oxopropan-2-yl]-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11270358
5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine
CID 11209672
N-(2-amino-2-oxoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11258549
N-methylsulfonyl-N-[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidin-2-yl]methanesulfonamide
CID 11190977
4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid
CID 11696778
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate (CID 11394687) is methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate is COC(=O)c1cccc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1.
What is the InChIKey of methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate?
The InChIKey is XCGNVKZKYMOYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO3/c1-26-19(25)17-10-5-9-16(24-17)14-7-4-6-13(12-14)15-8-2-3-11-18(15)27-20(21,22)23/h2-12H,1H3.
What are the key properties of methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate?
methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate has a molecular weight of 373.33 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 11394687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).