methyl 3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate

C14H10F3NO2 — CID 134634494

IUPACmethyl 3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO2/c1-20-13(19)12-10(6-4-8-18-12)9-5-2-3-7-11(9)14(15,16)17/h2-8H,1H3
InChIKeyPQFCGZOWPSGVFQ-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.55
Rot. Bonds2

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

methyl 3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate (PubChem CID 134634494) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is methyl 3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate
PubChem CID134634494
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Namemethyl 3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO2/c1-20-13(19)12-10(6-4-8-18-12)9-5-2-3-7-11(9)14(15,16)17/h2-8H,1H3
InChIKeyPQFCGZOWPSGVFQ-UHFFFAOYSA-N
XLogP3.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 52983947
methyl 5-chloro-3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134635499
methyl 3-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
CID 141441800
methyl 3-[[2-(trifluoromethyl)phenyl]methylsulfonylmethyl]pyridine-2-carboxylate
CID 67983885
methyl 3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634607
methyl 3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridine-2-carboxylate
CID 118415347
methyl 2-bromo-5-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 106510283
methyl 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134635594
N-methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 171925814
methyl 4,5-difluoro-2-[2-(trifluoromethyl)phenyl]benzoate
CID 118846081
methyl 2-(trifluoromethyl)benzoate
CID 2775578
methyl 3-chloro-4-[2-(trifluoromethyl)phenyl]benzoate
CID 66718347

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate (CID 134634494) is methyl 3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate is COC(=O)c1ncccc1-c1ccccc1C(F)(F)F.
What is the InChIKey of methyl 3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The InChIKey is PQFCGZOWPSGVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c1-20-13(19)12-10(6-4-8-18-12)9-5-2-3-7-11(9)14(15,16)17/h2-8H,1H3.
What are the key properties of methyl 3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
methyl 3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate has a molecular weight of 281.23 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 134634494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).