methyl 6-[2-fluoro-3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate

C15H11F4NO3 — CID 150262040

IUPACmethyl 6-[2-fluoro-3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2ccc(C(F)(F)F)c(OC)c2F)n1
InChIInChI=1S/C15H11F4NO3/c1-22-13-9(15(17,18)19)7-6-8(12(13)16)10-4-3-5-11(20-10)14(21)23-2/h3-7H,1-2H3
InChIKeyGBTIVAYIZLUBKR-UHFFFAOYSA-N
MW329.25 g/mol
LogP3.70
Rot. Bonds3

About methyl 6-[2-fluoro-3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate

methyl 6-[2-fluoro-3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate (PubChem CID 150262040) has the molecular formula C15H11F4NO3 and a molecular weight of 329.25 g/mol. Its IUPAC name is methyl 6-[2-fluoro-3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-fluoro-3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
PubChem CID150262040
Molecular FormulaC15H11F4NO3
Molecular Weight329.25 g/mol
Exact Mass329.07
IUPAC Namemethyl 6-[2-fluoro-3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2ccc(C(F)(F)F)c(OC)c2F)n1
InChIInChI=1S/C15H11F4NO3/c1-22-13-9(15(17,18)19)7-6-8(12(13)16)10-4-3-5-11(20-10)14(21)23-2/h3-7H,1-2H3
InChIKeyGBTIVAYIZLUBKR-UHFFFAOYSA-N
XLogP3.70
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 6-[2-fluoro-3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 155594223
methyl 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate
CID 131465361
methyl 6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylate
CID 58774798
methyl 6-(2-methylphenyl)pyridine-2-carboxylate
CID 117222230
methyl 6-(1,1,2,2,2-pentafluoroethyl)pyridine-2-carboxylate
CID 99728623
methyl 6-amino-2-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine-4-carboxylate
CID 90440305
methyl 6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylate
CID 118173164
methyl 6-(2-fluoro-5-prop-1-enylphenyl)pyridine-2-carboxylate
CID 67130742
methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
CID 165443753
methyl 6-[4-methoxy-2-(trifluoromethyl)phenyl]pyrazine-2-carboxylate
CID 167450835
methyl 6-pyridin-4-ylpyridine-2-carboxylate
CID 46317482
methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate
CID 66666760

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-fluoro-3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[2-fluoro-3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate (CID 150262040) is methyl 6-[2-fluoro-3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-fluoro-3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[2-fluoro-3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate is COC(=O)c1cccc(-c2ccc(C(F)(F)F)c(OC)c2F)n1.
What is the InChIKey of methyl 6-[2-fluoro-3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The InChIKey is GBTIVAYIZLUBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NO3/c1-22-13-9(15(17,18)19)7-6-8(12(13)16)10-4-3-5-11(20-10)14(21)23-2/h3-7H,1-2H3.
What are the key properties of methyl 6-[2-fluoro-3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
methyl 6-[2-fluoro-3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate has a molecular weight of 329.25 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-fluoro-3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 150262040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).