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

C19H13F3N2O3 — CID 58774798

IUPACmethyl 6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cccc(-c3ccccc3OC(F)(F)F)n2)n1
InChIInChI=1S/C19H13F3N2O3/c1-26-18(25)16-10-5-9-15(24-16)14-8-4-7-13(23-14)12-6-2-3-11-17(12)27-19(20,21)22/h2-11H,1H3
InChIKeyHTIXBWAXWKTZAH-UHFFFAOYSA-N
MW374.32 g/mol
LogP4.50
Rot. Bonds4

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

methyl 6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylate (PubChem CID 58774798) has the molecular formula C19H13F3N2O3 and a molecular weight of 374.32 g/mol. Its IUPAC name is methyl 6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylate
PubChem CID58774798
Molecular FormulaC19H13F3N2O3
Molecular Weight374.32 g/mol
Exact Mass374.09
IUPAC Namemethyl 6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cccc(-c3ccccc3OC(F)(F)F)n2)n1
InChIInChI=1S/C19H13F3N2O3/c1-26-18(25)16-10-5-9-15(24-16)14-8-4-7-13(23-14)12-6-2-3-11-17(12)27-19(20,21)22/h2-11H,1H3
InChIKeyHTIXBWAXWKTZAH-UHFFFAOYSA-N
XLogP4.50
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate
CID 11394687
methyl 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 134635647
methyl 6-(2-methylphenyl)pyridine-2-carboxylate
CID 117222230
4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide
CID 58774782
2-iodo-6-[2-(trifluoromethoxy)phenyl]pyridine
CID 134620549
methyl 3-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 134635680
methyl 6-[2-fluoro-3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 150262040
methyl 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134633894
methyl 5-amino-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 168665377
2-[2,6-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134618210
4-fluoro-2,6-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 133088911
methyl 1-methyl-4-[2-(trifluoromethoxy)phenyl]pyrazole-3-carboxylate
CID 170457610

Frequently Asked Questions

What is the IUPAC name of methyl 6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylate (CID 58774798) is methyl 6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylate is COC(=O)c1cccc(-c2cccc(-c3ccccc3OC(F)(F)F)n2)n1.
What is the InChIKey of methyl 6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylate?
The InChIKey is HTIXBWAXWKTZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O3/c1-26-18(25)16-10-5-9-15(24-16)14-8-4-7-13(23-14)12-6-2-3-11-17(12)27-19(20,21)22/h2-11H,1H3.
What are the key properties of methyl 6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylate?
methyl 6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylate has a molecular weight of 374.32 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylate is sourced from PubChem (CID 58774798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).