methyl 6-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate

C15H11ClF3NO3 — CID 155153757

IUPACmethyl 6-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(COc2ccc(Cl)cc2C(F)(F)F)n1
InChIInChI=1S/C15H11ClF3NO3/c1-22-14(21)12-4-2-3-10(20-12)8-23-13-6-5-9(16)7-11(13)15(17,18)19/h2-7H,8H2,1H3
InChIKeyYKJQYVQDYOZPFH-UHFFFAOYSA-N
MW345.70 g/mol
LogP4.12
Rot. Bonds4

About methyl 6-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate

methyl 6-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate (PubChem CID 155153757) has the molecular formula C15H11ClF3NO3 and a molecular weight of 345.70 g/mol. Its IUPAC name is methyl 6-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate
PubChem CID155153757
Molecular FormulaC15H11ClF3NO3
Molecular Weight345.70 g/mol
Exact Mass345.04
IUPAC Namemethyl 6-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(COc2ccc(Cl)cc2C(F)(F)F)n1
InChIInChI=1S/C15H11ClF3NO3/c1-22-14(21)12-4-2-3-10(20-12)8-23-13-6-5-9(16)7-11(13)15(17,18)19/h2-7H,8H2,1H3
InChIKeyYKJQYVQDYOZPFH-UHFFFAOYSA-N
XLogP4.12
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.70
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-(methoxymethyl)pyridine-2-carboxylate
CID 58850086
methyl 6-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate
CID 139513796
methyl 6-chloro-8-(trifluoromethyl)quinoline-2-carboxylate
CID 82250624
methyl 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325
methyl 6-[(2-amino-5-chlorophenyl)sulfanylmethyl]pyridine-2-carboxylate
CID 106903905
1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]ethanone;4-methylheptane
CID 143311508
methyl 6-ethylpyridine-2-carboxylate;propane
CID 142320367
methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate
CID 55267203
ethyl 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 59384265
ethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate
CID 143249319
[4-chloro-2-(trifluoromethyl)phenyl] acetate
CID 118592870
methyl 6-[[methylsulfanyl(sulfanyl)methoxy]methyl]pyridine-2-carboxylate
CID 175489350

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate (CID 155153757) is methyl 6-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate is COC(=O)c1cccc(COc2ccc(Cl)cc2C(F)(F)F)n1.
What is the InChIKey of methyl 6-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate?
The InChIKey is YKJQYVQDYOZPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO3/c1-22-14(21)12-4-2-3-10(20-12)8-23-13-6-5-9(16)7-11(13)15(17,18)19/h2-7H,8H2,1H3.
What are the key properties of methyl 6-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate?
methyl 6-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate has a molecular weight of 345.70 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 155153757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).