methyl 3-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate

C13H9F3N2O2 — CID 141441800

IUPACmethyl 3-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H9F3N2O2/c1-20-12(19)11-9(3-2-6-17-11)8-4-5-10(18-7-8)13(14,15)16/h2-7H,1H3
InChIKeyGYICHVLGOHEBEB-UHFFFAOYSA-N
MW282.22 g/mol
LogP2.95
Rot. Bonds2

About methyl 3-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate

methyl 3-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate (PubChem CID 141441800) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is methyl 3-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
PubChem CID141441800
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Namemethyl 3-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H9F3N2O2/c1-20-12(19)11-9(3-2-6-17-11)8-4-5-10(18-7-8)13(14,15)16/h2-7H,1H3
InChIKeyGYICHVLGOHEBEB-UHFFFAOYSA-N
XLogP2.95
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634607
methyl 3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634494
methyl 3-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylate
CID 150115292
methyl 3-(3-bromophenyl)pyridine-2-carboxylate
CID 102538275
methyl 6-(aminomethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate;hydrochloride
CID 118008295
methyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate
CID 166448386
2-[6-(trifluoromethyl)-3-pyridinyl]phenol
CID 142726481
methyl 3-pyridin-4-yl-6-(trifluoromethyl)pyridine-2-carboxylate
CID 46317652
ethane;methyl 6-cyano-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate
CID 144826384
methyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyridine-2-carboxylate
CID 175067958
methyl 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
CID 90415028
methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride
CID 141197629

Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate (CID 141441800) is methyl 3-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate is COC(=O)c1ncccc1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of methyl 3-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?
The InChIKey is GYICHVLGOHEBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c1-20-12(19)11-9(3-2-6-17-11)8-4-5-10(18-7-8)13(14,15)16/h2-7H,1H3.
What are the key properties of methyl 3-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?
methyl 3-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate has a molecular weight of 282.22 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate is sourced from PubChem (CID 141441800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).